SCHEMBL13613642

SCHEMBL13613642

CCOc1cc(CC)cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)OC)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 16/20 0.36
F3 P13726 16/20 0.36
F10 P00742 12/20 0.36
F2 P00734 12/20 0.36
F11 P03951 8/20 0.36
NR1H4 Q96RI1 3/20 0.36
SYK P43405 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL4761375 0.95 NR1H4 (0.37) F7F3F10F2F11
SCHEMBL2914274 0.93 F7 (0.38) F7F3F10F2F11
SCHEMBL4330201 0.89 NR1H4 (0.37) F7F3F10F2F11
SCHEMBL2914276 0.85 F7 (0.37) F7F3F10F2F11
SCHEMBL13613589 0.82 F7 (0.39) F7F3F10F2F11
SCHEMBL5006791 0.81 F7 (0.39) F7F3F10F2F11
SCHEMBL4330202 0.81 NR1H4 (0.35) F7F3F10F2F11
SCHEMBL2852064 0.81 NR1H4 (0.37) F7F3F10F2F11
SCHEMBL2853599 0.81 F7 (0.36) F7F3F10F2F11
SCHEMBL2915392 0.79 F7 (0.44) F7F3F10F2F11

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-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed