SCHEMBL7388772

SCHEMBL7388772

C=C[C@H](CC(=O)OCC)NC(=O)NCCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.51
F10 P00742 4/20 0.51
PRSS1 P07477 1/20 0.46
ITGB3 P05106 13/20 0.46
ITGA2B P08514 13/20 0.46
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL7383400 0.87 ITGB3 (0.55) F10ITGB3ITGA2BST14
SCHEMBL7383870 0.87 F2 (0.49) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7385655 0.86 ITGB3 (0.57) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7385706 0.84 F2 (0.60) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7384715 0.83 ITGB3 (0.59) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7388769 0.82 ITGB3 (0.44) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7387496 0.80 ITGB3 (0.54) F2F10PRSS1ITGB3ITGA2B
SCHEMBL8776989 0.79 F2 (0.49) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7386035 0.78 F2 (0.50) F2F10PRSS1ITGB3ITGA2B
SCHEMBL9390323 0.77 ITGB3 (0.51) F2F10PRSS1ITGB3ITGA2B

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
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO disclosed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US disclosed