SCHEMBL8108531

SCHEMBL8108531

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.58
ITGA2B P08514 12/20 0.58
FPR2 P25090 4/20 0.40
FPR1 P21462 2/20 0.40
F9 P00740 3/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL8109536 0.87 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1F9
Acetic Acid SCHEMBL9095758 0.86 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL8117802 0.84 ITGB3 (0.44) ITGB3ITGA2BF9
SCHEMBL8115992 0.83 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL8115999 0.83 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL8108552 0.83 ITGB3 (0.42) ITGB3ITGA2BFPR2FPR1HDAC1
Trifluoroacetic Acid SCHEMBL9028999 0.83 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8122580 0.82 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1F9
SCHEMBL8118290 0.80 ITGB3 (0.41) ITGB3ITGA2BF9
SCHEMBL8125479 0.80 ITGB3 (0.41) ITGB3ITGA2BF9

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