SCHEMBL8619611

SCHEMBL8619611

NC(=NCCSCc1ccccc1)SCCCc1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.48
HRH4 Q9H3N8 15/20 0.48
NOS1 P29475 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN2A Q99250 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 0.82 HRH3 (0.54) HRH3HRH4NOS1MEN1TP53
SCHEMBL8624154 0.78 HRH4 (0.54) HRH3HRH4NOS1TP53CYP1A2
SCHEMBL11660030 0.77 HRH3 (0.43) HRH3HRH4SCN5ASCN2A
SCHEMBL8619610 0.77 ALDH1A1 (0.41) NOS1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL28061468 0.77 CYP2C19 (0.51) CYP1A2CYP3A4
SCHEMBL11659297 0.74 HRH3 (0.45) HRH3HRH4TP53CYP1A2CYP3A4
SCHEMBL9876542 0.74 HRH4 (0.39) HRH3HRH4CYP1A2CYP3A4SCN5A
SCHEMBL9867644 0.74 SCN5A (0.45) HRH4MEN1KMT2ASCN5ASCN2A
SCHEMBL9867640 0.74 SCN5A (0.45) HRH4MEN1KMT2ASCN5ASCN2A
SCHEMBL9868525 0.73 SIGMAR1 (0.44) HRH3HRH4MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP claimed
EP-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP claimed
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 claimed
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