SCHEMBL8621926

SCHEMBL8621926

NC(=NCCc1ccccc1)SCCCc1ncc[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.60
HRH4 Q9H3N8 14/20 0.60
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
TAAR1 Q96RJ0 1/20 0.43
NOS1 P29475 1/20 0.42
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL8620794 0.96 HRH3 (0.56) HRH3HRH4MEN1TP53CYP1A2
SCHEMBL8619886 0.94 HRH4 (0.61) HRH3HRH4MEN1TP53CYP1A2
SCHEMBL8625836 0.93 HRH3 (0.63) HRH3HRH4MEN1TP53CYP1A2
SCHEMBL8805742 0.93 HRH4 (0.54) HRH3HRH4MEN1TP53CYP1A2
SCHEMBL8619999 0.89 HRH4 (0.61) HRH3HRH4TP53CYP1A2CYP3A4
SCHEMBL8805366 0.88 HRH4 (0.63) HRH3HRH4MEN1TP53CYP1A2
SCHEMBL8624871 0.86 HRH4 (0.57) HRH3HRH4TP53CYP1A2CYP3A4
SCHEMBL8808473 0.82 HRH4 (0.56) HRH3HRH4MEN1TP53CYP1A2
Bromide SCHEMBL11657850 0.80 HRH4 (0.46) HRH3HRH4TAAR1
SCHEMBL8618191 0.78 HRH3 (0.62) HRH3HRH4TP53CYP1A2CYP3A4

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-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 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