SCHEMBL14009153

SCHEMBL14009153

CCOc1cccc(C(Nc2cc3ccnc(N)c3cc2F)C(=O)N(C)Cc2cc(NC(C)=O)ccc2S(=O)(=O)CC)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.49
F3 P13726 20/20 0.49
F10 P00742 13/20 0.49
F2 P00734 12/20 0.49
F11 P03951 7/20 0.49
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 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
Trifluoroacetic Acid SCHEMBL2854540 0.96 F7 (0.46) F7F3F10F2F11
SCHEMBL14035825 0.91 F7 (0.44) F7F3F10F2F11
SCHEMBL8254063 0.90 F7 (0.60) F7F3F10F2F11
SCHEMBL14599495 0.89 F7 (0.45) F7F3F10F2F11
SCHEMBL14009073 0.88 F7 (0.48) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL2853068 0.87 F7 (0.56) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL2859517 0.84 F7 (0.45) F7F3F10F2F11
SCHEMBL8254786 0.82 F7 (0.45) F7F3F10F2F11
SCHEMBL13513350 0.81 F7 (0.48) F7F3F10F2F11
SCHEMBL13513328 0.80 F7 (0.56) 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-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed