SCHEMBL2915515

SCHEMBL2915515

CCOc1cc([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)ccc1OC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 1.00
F3 P13726 20/20 1.00
F2 P00734 9/20 0.83
F10 P00742 9/20 0.83
F11 P03951 9/20 0.83
KLK1 P06870 1/20 0.83

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
SCHEMBL3004831 1.00 F7 (1.00) F7F3F2F10F11
SCHEMBL13613502 1.00 F7 (1.00) F7F3F2F10F11
SCHEMBL2911778 1.00 F7 (1.00) F7F3F2F10F11
SCHEMBL2911774 1.00 F7 (1.00) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2915116 0.96 F7 (0.93) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL3005906 0.96 F7 (0.93) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2913371 0.96 F7 (0.93) F7F3F2F10F11
Trifluoroacetic Acid SCHEMBL2939321 0.96 F7 (0.93) F7F3F2F10F11
SCHEMBL2913709 0.95 F7 (0.90) F7F3F2F10F11
SCHEMBL2909329 0.95 F7 (0.90) F7F3F2F10F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP claimed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US claimed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed