SCHEMBL6157148

SCHEMBL6157148

N=C(Nc1cccc2ccccc12)NN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 14/20 0.53
GAA P10253 1/20 0.46
HSD17B10 Q99714 7/20 0.46
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6154020 0.81 KDM4E (0.47) POLBKDM4EGAAHSD17B10ALDH1A1
SCHEMBL1273874 0.78 KDM4E (0.64) POLBKDM4EGAAHSD17B10ALDH1A1
SCHEMBL7328735 0.77 LMNA (0.55) POLBLMNAKDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL9438292 0.76 KDM4E (0.62) POLBKDM4EGAAHSD17B10ALDH1A1
SCHEMBL20305775 0.75 KDM4E (0.54) POLBLMNAKDM4EGAAHSD17B10
SCHEMBL3077490 0.75 KDM4E (0.60) POLBKDM4EGAAHSD17B10ALDH1A1
SCHEMBL830750 0.74 KDM4E (0.74) POLBLMNAKDM4EHSD17B10ALDH1A1
SCHEMBL19467848 0.72 LMNA (0.48) POLBLMNAGAAMEN1KMT2A
SCHEMBL6852418 0.72 KDM4E (0.76) POLBLMNAKDM4EGAAHSD17B10
SCHEMBL6157154 0.71 SIGMAR1 (0.55) KDM4EGAAHSD17B10ALDH1A1MEN1

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 6 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
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
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