SCHEMBL8117802

SCHEMBL8117802

CCC(C(=O)O)C(C)NC(=O)CC1CCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.44
ITGA2B P08514 18/20 0.44
F9 P00740 2/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL8125479 0.94 ITGB3 (0.41) ITGB3ITGA2BF9F2F10
SCHEMBL8118290 0.94 ITGB3 (0.41) ITGB3ITGA2BF9F2F10
SCHEMBL8122256 0.88 ITGB3 (0.42) ITGB3ITGA2BF9F2F10
SCHEMBL9029205 0.87 ITGB3 (0.46) ITGB3ITGA2BF9F2F10
SCHEMBL8122589 0.87 ITGB3 (0.42) ITGB3ITGA2BF9F2F10
SCHEMBL9028484 0.87 ITGB3 (0.47) ITGB3ITGA2BF9F2F10
SCHEMBL8108531 0.84 ITGB3 (0.58) ITGB3ITGA2BF9
SCHEMBL7416061 0.83 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8117806 0.83 HTT (0.31) ITGB3ITGA2B
SCHEMBL8122698 0.83 F10 (0.41) ITGB3ITGA2BF9F2F10

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 claimed