SCHEMBL334954

SCHEMBL334954

CCc1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F9 P00740 6/20 0.47
F7 P08709 11/20 0.47
F3 P13726 10/20 0.47
F10 P00742 6/20 0.41
F2 P00734 5/20 0.41
F11 P03951 3/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
LRRK2 Q5S007 1/20 0.38
GRM4 Q14833 1/20 0.37

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
SCHEMBL362059 0.93 F9 (0.40) F9F7F3F10F2
SCHEMBL335340 0.87 F9 (0.46) F9F7F3F10F2
SCHEMBL335522 0.86 F9 (0.53) F9F7F3F10F11
SCHEMBL335724 0.84 F7 (0.50) F9F7F3F10F2
SCHEMBL336483 0.84 F9 (0.54) F9F7F3F10F11
SCHEMBL335697 0.83 F7 (0.52) F9F7F3F10F2
SCHEMBL334902 0.81 F9 (0.49) F9F7F3F10F2
SCHEMBL334912 0.81 F7 (0.40) F9F7F3
SCHEMBL335996 0.81 F9 (0.49) F9F7F3F10F2
SCHEMBL335786 0.81 F9 (0.51) F9F7F3F10F2

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed