SCHEMBL8564481

SCHEMBL8564481

CCN(CC)C(C)n1c(N)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
HTT P42858 1/20 0.55
POLB P06746 2/20 0.49
TLR8 Q9NR97 3/20 0.47
NOD1 Q9Y239 2/20 0.46
NOS2 P35228 1/20 0.45
CXCR4 P61073 1/20 0.44
CXCL8 P10145 1/20 0.43
GAA P10253 1/20 0.43
NOD2 Q9HC29 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL6930941 0.86 CYP1A2 (0.51) CYP1A2CYP2D6HTTPOLBTLR8
Hydrochloric Acid SCHEMBL6934110 0.84 CYP1A2 (0.50) CYP1A2CYP2D6HTTPOLBTLR8
SCHEMBL1980314 0.80 HSD17B10 (0.57) CYP1A2CYP2D6HTTPOLBNOD1
SCHEMBL21310919 0.80 KDM4E (0.57) CYP1A2CYP2D6HTTPOLBTLR8
SCHEMBL7847984 0.79 NOS2 (0.55) CYP1A2CYP2D6HTTPOLBTLR8
Bromide SCHEMBL1982279 0.79 HSD17B10 (0.56) CYP1A2CYP2D6HTTPOLBNOD1
SCHEMBL8932209 0.78 MEN1 (0.42) CYP1A2POLBKDM4EALDH1A1HPGD
SCHEMBL6934460 0.78 S1PR1 (0.41) CYP1A2HTTPOLBNOD1CXCL8
SCHEMBL7847769 0.78 HTT (0.57) CYP1A2CYP2D6HTTPOLBTLR8
SCHEMBL7848302 0.75 POLB (0.55) CYP1A2CYP2D6HTTPOLBTLR8

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
EP-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP disclosed
US-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed
US-5623073-A ANTIDIABETIC AGENT ADIR ET COMPAGNIE (FR) 1997-04-22 US disclosed
EP-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 EP disclosed