SCHEMBL8108543

SCHEMBL8108543

CCOC(=O)C[C@@H](C)NC(=O)NC1CCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.71
ITGA2B P08514 13/20 0.71
PRSS1 P07477 7/20 0.41
PRSS2 P07478 7/20 0.41
PRSS3 P35030 7/20 0.41
F10 P00742 4/20 0.40
F2 P00734 2/20 0.40
F9 P00740 2/20 0.39
PLG P00747 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
FPR2 P25090 2/20 0.38
FPR1 P21462 1/20 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
SCHEMBL8115160 1.00 ITGB3 (0.71) ITGB3ITGA2BPRSS1PRSS2PRSS3
Acetic Acid SCHEMBL7414160 0.97 ITGB3 (0.68) ITGB3ITGA2BPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7417146 0.94 ITGB3 (0.64) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7417832 0.89 ITGB3 (0.57) ITGB3ITGA2BF2FPR2FPR1
SCHEMBL7417838 0.89 ITGB3 (0.57) ITGB3ITGA2BF2FPR2FPR1
SCHEMBL7417201 0.88 ITGB3 (0.67) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7417192 0.88 ITGB3 (0.67) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7417196 0.88 ITGB3 (0.67) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8115992 0.88 ITGB3 (0.58) ITGB3ITGA2BF9FPR2FPR1
SCHEMBL8115999 0.88 ITGB3 (0.58) ITGB3ITGA2BF9FPR2FPR1

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 2 patents. 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
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed