SCHEMBL14035948

SCHEMBL14035948

CCS(=O)(=O)c1ccc(NC(C)=O)cc1CNC(=O)C(Nc1ccc2c(N)nccc2c1)c1ccc(C)c(OC)c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.78
F3 P13726 20/20 0.78
F10 P00742 17/20 0.78
F2 P00734 16/20 0.78
F11 P03951 12/20 0.78
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50

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
SCHEMBL14009488 0.95 F7 (0.81) F7F3F10F2F11
SCHEMBL2851327 0.95 F7 (0.81) F7F3F10F2F11
SCHEMBL5055761 0.95 F7 (0.81) F7F3F10F2F11
SCHEMBL8244988 0.93 F7 (0.76) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL2850912 0.91 F7 (0.75) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL2852628 0.91 F7 (0.75) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL2849048 0.89 F7 (0.70) F7F3F10F2F11
SCHEMBL14008781 0.89 F7 (0.83) F7F3F10F2F11
SCHEMBL14008765 0.89 F7 (0.83) F7F3F10F2F11
SCHEMBL8252467 0.89 F7 (0.72) 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