SCHEMBL6154977

SCHEMBL6154977

c1cc2c3c(ccc(N=C(NNC(=NC4CCCCC4)NC4CCCCC4)Nc4ccc5c6c(cccc46)CC5)c3c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.51
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EPHX1 P07099 1/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL6155260 0.86 SIGMAR1 (0.36) SCN2AALDH1A1KDM4ESIGMAR1MEN1
SCHEMBL6155090 0.83 SCN2A (0.71) SCN2AALDH1A1KDM4EHPGDLMNA
SCHEMBL6155071 0.76 SCN2A (0.60) SCN2AALDH1A1KDM4EHPGDLMNA
SCHEMBL6154458 0.74 SCN2A (0.46) SCN2AALDH1A1LMNASIGMAR1GAA
SCHEMBL6154972 0.67 EPHX1 (0.36) SCN2AALDH1A1KDM4ESIGMAR1MEN1
SCHEMBL6155365 0.67 SIGMAR1 (0.76) ALDH1A1KDM4ELMNASIGMAR1GAA
SCHEMBL6156082 0.65 SCN2A (0.44) SCN2AALDH1A1KDM4EHPGDSIGMAR1
SCHEMBL10493627 0.65 NPC1 (0.55) ALDH1A1KDM4EHPGDLMNASIGMAR1
SCHEMBL10493628 0.65 NPC1 (0.55) ALDH1A1KDM4EHPGDLMNASIGMAR1
SCHEMBL2740863 0.63 EPHX1 (0.52) ALDH1A1KDM4EHPGDSIGMAR1MEN1

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 11 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 claimed
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 claimed
US-5837737-A MODULATOR OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-11-17 US claimed
US-5686495-A Substituted hydrazinedicarboximidamides and methods of use thereof CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-11-11 US claimed
US-5652269-A MODULATION OF NEUROTRANSMITTER RELEASE, NEUROPROTECTIVE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-07-29 US claimed
US-5403861-A Treating or preventing nerve cell death CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-04-04 US claimed
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 claimed
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 claimed
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 claimed
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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed