SCHEMBL6155618

SCHEMBL6155618

NC(=Nc1ccc(C2CCCCC2)cc1)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.54
GRIN2D O15399 5/20 0.54
GRIN3B O60391 5/20 0.54
GRIN1 Q05586 5/20 0.54
GRIN2A Q12879 5/20 0.54
GRIN2B Q13224 5/20 0.54
GRIN2C Q14957 5/20 0.54
GRIN3A Q8TCU5 5/20 0.54
NOS3 P29474 2/20 0.54
NOS1 P29475 2/20 0.54
NOS2 P35228 2/20 0.54
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6154858 0.92 SIGMAR1 (0.59) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8742419 0.83 NOS3 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8742411 0.80 NOS3 (0.62) NOS3NOS1NOS2CYP2D6TDP1
SCHEMBL8742405 0.77 HDAC8 (0.53) NOS3NOS1NOS2LMNAHDAC3
SCHEMBL7760744 0.77 HDAC8 (0.60) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL3428205 0.77 HDAC3 (0.53) CYP2D6KMT2AHDAC3HDAC11HDAC8
SCHEMBL6509226 0.76 NOS3 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6513366 0.76 ALDH1A1 (0.53) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6513314 0.76 ALDH1A1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6515597 0.76 NOS3 (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940139-B1 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers SCION PHARMACEUTICALS INC (US) 2005-02-02 EP disclosed
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed
US-6071969-A ADMINISTERING AMINOGUANIDINE DERIVATIVE TO MAMMAL FOR TREATING OR PREVENTING DISEASE OF NERVOUS SYSTEM IN WHICH PATHOPHYSIOLOGY OF DISORDER INVOLVES EXCESSIVE RELEASE OF OF NEUROTRANSMITTER FROM NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-06-06 US disclosed
EP-0584088-B1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RES (US) 1999-10-27 EP disclosed
EP-0940139-A2 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1999-09-08 EP disclosed
US-5837737-A MODULATOR OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-11-17 US disclosed
US-5741661-A SCREENING ASSAY CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-04-21 US disclosed
US-5681861-A BLOCKING VOLTAGE SENSITIVE SODIUM AND CALCIUM CHANNELS IN MAMMALIAN NERVE CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-10-28 US disclosed
US-5672608-A INHIBIT RELEASE OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-09-30 US disclosed
US-5670519-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-09-23 US disclosed
US-5652269-A MODULATION OF NEUROTRANSMITTER RELEASE, NEUROPROTECTIVE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-07-29 US disclosed
US-5637623-A CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-06-10 US disclosed
US-5622968-A ADMINISTERING TO BLOCK VOLTAGE SENSITIVE CALCIUM CHANNELS OF MAMMALIAN NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-04-22 US disclosed
US-5614630-A NEUROTRANSMITTER RELEASE MODULATOR CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-03-25 US disclosed
US-5403861-A Treating or preventing nerve cell death CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-04-04 US disclosed
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP disclosed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP disclosed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO disclosed