SCHEMBL9301705

SCHEMBL9301705

CN(C(=O)c1ccc(Cn2c(S(C)(=O)=O)nc3ccccc32)cc1)C1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.75
HRH3 Q9Y5N1 12/20 0.59
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
HRH1 P35367 1/20 0.47
CYP2C9 P11712 1/20 0.47
CNR2 P34972 1/20 0.46
KCNH2 Q12809 1/20 0.46
HSD11B1 P28845 1/20 0.46
HSD11B2 P80365 1/20 0.46

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
SCHEMBL9301610 0.86 PTAFR (1.00) PTAFRHRH3KCNH2
SCHEMBL9302862 0.84 PTAFR (0.78) PTAFRHRH3CYP2D6CHRM1HRH1
SCHEMBL9305049 0.83 PTAFR (0.77) PTAFRHRH3CYP2D6CHRM1HRH1
SCHEMBL9301924 0.83 PTAFR (0.80) PTAFRHRH3
SCHEMBL9301789 0.83 PTAFR (0.77) PTAFRHRH3CYP2D6CHRM1HRH1
SCHEMBL9302757 0.83 PTAFR (0.77) PTAFRHRH3CYP2C19CYP1A2CYP2D6
SCHEMBL9302148 0.83 PTAFR (0.75) PTAFRHRH3CYP2D6CHRM1HRH1
SCHEMBL9302551 0.82 PTAFR (0.74) PTAFRHRH3CYP2D6CHRM1HRH1
SCHEMBL9303512 0.81 PTAFR (0.76) PTAFRHRH3KCNH2
SCHEMBL9302131 0.80 PTAFR (0.71) PTAFRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed