SCHEMBL7054562

SCHEMBL7054562

Cc1ccn(-c2cnc(C(=O)N3CCN(S(=O)(=O)c4nc5cc(Cl)ccc5[nH]4)CC3)nc2)c(=O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.40
OPRM1 P35372 1/20 0.39
KLK1 P06870 1/20 0.38
GAA P10253 1/20 0.37
SPR P35270 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HRH1 P35367 1/20 0.37
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL6725101 0.84 F10 (0.41) F10OPRM1KLK1GAAHRH4
SCHEMBL6730030 0.81 F10 (0.39) F10OPRM1KLK1HRH4HRH3
SCHEMBL6731287 0.81 F10 (0.41) F10OPRM1KLK1HRH4HRH3
SCHEMBL6731541 0.80 ALDH1A1 (0.44) F10OPRM1KLK1HRH4HRH3
SCHEMBL6731365 0.80 F10 (0.40) F10OPRM1KLK1HRH4HRH3
SCHEMBL6730406 0.79 ALDH1A1 (0.43) F10OPRM1KLK1GAAKMT2A
SCHEMBL6728616 0.78 F10 (0.40) F10OPRM1KLK1HRH4HRH3
SCHEMBL6728350 0.78 OPRM1 (0.40) F10OPRM1KLK1GAAHRH4
SCHEMBL6731706 0.78 F10 (0.38) F10OPRM1KLK1GAAHRH4
SCHEMBL6725115 0.77 HRH4 (0.44) F10KLK1GAAHRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed