SCHEMBL2916546

SCHEMBL2916546

CCOc1cc([C@@H](Oc2ccc3c(N)nccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)O)ccc2S(=O)(=O)C(C)C)ccc1OC(C)C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.74
F3 P13726 20/20 0.74
F10 P00742 15/20 0.61
F2 P00734 14/20 0.61
F11 P03951 12/20 0.61
KLK1 P06870 1/20 0.61
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL2915934 1.00 F7 (0.74) F7F3F10F2F11
SCHEMBL2916778 0.95 F7 (0.83) F7F3F10F2F11
SCHEMBL2916783 0.95 F7 (0.83) F7F3F10F2F11
SCHEMBL4558996 0.95 F7 (0.83) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL3013379 0.92 F7 (0.77) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL4334896 0.92 F7 (0.77) F7F3F10F2F11
SCHEMBL2917561 0.91 F7 (0.73) F7F3F10F2F11
SCHEMBL2915713 0.91 F7 (0.73) F7F3F10F2F11
SCHEMBL2908446 0.91 F7 (0.90) F7F3F10F2F11
SCHEMBL2908943 0.91 F7 (0.90) 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
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP claimed