SCHEMBL13628103

SCHEMBL13628103

CCOc1cc([C@@H](Nc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S)c(F)cc1F

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.81
F3 P13726 20/20 0.81
F2 P00734 10/20 0.81
F10 P00742 10/20 0.81
F11 P03951 10/20 0.81
KLK1 P06870 1/20 0.58

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
SCHEMBL13628892 0.95 F7 (0.74) F7F3F2F10F11
SCHEMBL13628072 0.95 F7 (0.74) F7F3F2F10F11
SCHEMBL13627849 0.95 F7 (0.73) F7F3F2F10F11
SCHEMBL13628108 0.95 F7 (0.73) F7F3F2F10F11
SCHEMBL13628110 0.93 F7 (0.70) F7F3F2F10F11
SCHEMBL13627863 0.92 F7 (0.69) F7F3F2F10F11
SCHEMBL13628127 0.92 F7 (0.69) F7F3F2F10F11
SCHEMBL13627845 0.91 F7 (0.81) F7F3F2F10F11
SCHEMBL13627847 0.91 F7 (0.81) F7F3F2F10F11
SCHEMBL13628115 0.90 F7 (0.67) 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 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