SCHEMBL8115992

SCHEMBL8115992

CC(CC(=O)O)NC(=O)N[C@@H]1CCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.58
ITGA2B P08514 17/20 0.58
FPR2 P25090 2/20 0.42
FPR1 P21462 1/20 0.42
F9 P00740 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
SCHEMBL8115999 1.00 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1F9
Trifluoroacetic Acid SCHEMBL9028600 0.94 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7422012 0.94 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7422004 0.94 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
SCHEMBL8108543 0.88 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL8115160 0.88 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1F9
Acetic Acid SCHEMBL7414160 0.87 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL7418392 0.86 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
SCHEMBL7418373 0.86 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
SCHEMBL7418384 0.86 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1

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