SCHEMBL8624154

SCHEMBL8624154

NC(=NCc1ccccc1)SCCc1c[nH]cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.54
HRH3 Q9Y5N1 16/20 0.54
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL8622924 0.89 HRH3 (0.54) HRH4HRH3TP53CYP1A2CYP3A4
SCHEMBL8619611 0.78 HRH3 (0.48) HRH4HRH3TP53CYP1A2CYP3A4
SCHEMBL31157604 0.76
SCHEMBL11660030 0.74 HRH3 (0.43) HRH4HRH3
SCHEMBL8624151 0.73 NOS1 (0.39) NOS1
SCHEMBL28061468 0.72 CYP2C19 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6973014 0.72 GRIN2B (0.55) GRIN1GRIN2BNOS2
SCHEMBL6967752 0.72 GRIN2B (0.42) HRH4HRH3GRIN1GRIN2BNOS2
Imetit SCHEMBL2895693 0.71 HRH4 (0.49) HRH4HRH3CYP1A2CYP3A4CYP2D6
SCHEMBL8622920 0.71 NOS1 (0.40) NOS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837718-A ANTIHISTAMINES SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1998-11-17 US disclosed
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP disclosed
EP-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP disclosed
WO-1992015567-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1992-09-17 WO disclosed