SCHEMBL8140283

SCHEMBL8140283

N=C(N)c1ccc(N2CCC[C@@H](CC(=O)NC(Cc3ccoc3)C(=O)O)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.38
F10 P00742 4/20 0.38
ITGB3 P05106 13/20 0.37
ITGA2B P08514 13/20 0.37
F2 P00734 3/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL27352808 1.00 F9 (0.38) F9F10ITGB3ITGA2BF2
SCHEMBL9028283 0.95 ITGB3 (0.40) F9F10ITGB3ITGA2BF2
SCHEMBL7412383 0.89 F10 (0.46) F10ITGB3ITGA2BF2PRSS1
SCHEMBL27352806 0.85 ITGB3 (0.36) ITGB3ITGA2BF2
SCHEMBL7424212 0.85 ITGB3 (0.42) F9F10ITGB3ITGA2BF2
SCHEMBL7423343 0.85 ITGB3 (0.42) F9F10ITGB3ITGA2BF2
SCHEMBL9028542 0.84 ITGB3 (0.45) F10ITGB3ITGA2BF2PRSS1
SCHEMBL7419094 0.82 F10 (0.39) F9F10ITGB3ITGA2BF2
SCHEMBL8117179 0.82 ITGB3 (0.41) F9ITGB3ITGA2B
SCHEMBL27352804 0.82 ITGB3 (0.41) F9ITGB3ITGA2B

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-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed