SCHEMBL9303757

SCHEMBL9303757

CCN(C(=O)c1ccc(Cn2c(C)nc3ccccc32)cc1)C1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.78
HRH3 Q9Y5N1 10/20 0.63
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
GALR3 O60755 2/20 0.50
NR2F2 P24468 2/20 0.50
TNF P01375 1/20 0.50
RAB9A P51151 1/20 0.50
ITK Q08881 1/20 0.48
TSPO P30536 1/20 0.47

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
SCHEMBL9302826 0.91 PTAFR (0.83) PTAFRHRH3HDAC1HDAC6GALR3
SCHEMBL9301610 0.88 PTAFR (1.00) PTAFRHRH3HDAC1HDAC6GALR3
SCHEMBL4937590 0.79 PTAFR (0.79) PTAFRHRH3HDAC1HDAC6
SCHEMBL4945297 0.79 HRH3 (0.90) PTAFRHRH3
SCHEMBL3724608 0.79 HRH3 (0.90) PTAFRHRH3
SCHEMBL4937585 0.79 PTAFR (0.79) PTAFRHRH3HDAC1HDAC6
SCHEMBL3668224 0.79 HRH3 (0.92) PTAFRHRH3
SCHEMBL3724043 0.79 HRH3 (0.98) PTAFRHRH3
SCHEMBL9302862 0.78 PTAFR (0.78) PTAFRHRH3HDAC1HDAC6RAB9A
SCHEMBL3726475 0.78 PTAFR (0.81) PTAFRHRH3HDAC1HDAC6GALR3

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