SCHEMBL8109546

SCHEMBL8109546

C=C[C@H](NC(=O)NC1CCN(c2ccc(C=NN)cc2)C1=O)C(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
FPR2 P25090 16/20 0.38
FPR1 P21462 9/20 0.38
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL8108552 0.89 ITGB3 (0.42) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8122599 0.85
SCHEMBL8109536 0.85 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1HDAC1
Acetic Acid SCHEMBL9095800 0.84 ITGB3 (0.43) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7418405 0.83 FPR2 (0.40) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8115483 0.82 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7417207 0.82 ITGB3 (0.49) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8122590 0.80 ITGB3 (0.47) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8116006 0.80 ITGB3 (0.42) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7530926 0.77 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1HDAC1

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