SCHEMBL9028218

SCHEMBL9028218

C#CC[C@H](NC(=O)CC1CCN(c2ccc(C(=N)N)cc2)C1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.40
ITGA2B P08514 18/20 0.40
F10 P00742 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
F2 P00734 1/20 0.38
F9 P00740 2/20 0.37

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
SCHEMBL9029205 0.87 ITGB3 (0.46) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8115266 0.85 ITGB3 (0.40) ITGB3ITGA2BF9
SCHEMBL7417370 0.85 ITGB3 (0.40) ITGB3ITGA2BF9
SCHEMBL7418509 0.85 ITGB3 (0.40) ITGB3ITGA2BF9
SCHEMBL9028542 0.85 ITGB3 (0.45) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL27398647 0.83 ITGB3 (0.46) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL9028243 0.83 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL9028262 0.83 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL9028484 0.83 ITGB3 (0.47) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7422001 0.83 ITGB3 (0.54) ITGB3ITGA2B

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-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed