SCHEMBL8109536

SCHEMBL8109536

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.55
ITGA2B P08514 13/20 0.55
FPR2 P25090 3/20 0.38
FPR1 P21462 2/20 0.38
F9 P00740 3/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
F10 P00742 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34

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
SCHEMBL8108531 0.87 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL8109546 0.85 ITGB3 (0.41) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8122589 0.85 ITGB3 (0.42) ITGB3ITGA2BF9F10PRSS1
Acetic Acid SCHEMBL9095758 0.83 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL7418373 0.83 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7418392 0.83 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7418384 0.83 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL9028803 0.82 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL7425930 0.82 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL8115481 0.82 ITGB3 (0.39) ITGB3ITGA2BF9F10PRSS1

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