SCHEMBL7424541

SCHEMBL7424541

N=C(N)c1ccc(N2CCC(NC(=O)NC(CC(=O)OC(=O)C(F)(F)F)c3ccccc3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.51
ITGA2B P08514 13/20 0.51
FPR2 P25090 6/20 0.39
FPR1 P21462 3/20 0.39
MCHR1 Q99705 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL7422015 0.87 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1
Acetic Acid SCHEMBL7415684 0.85 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1F2
SCHEMBL9029468 0.84 ITGB3 (0.48) ITGB3ITGA2BF2F10
SCHEMBL7448817 0.81 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1
SCHEMBL7411805 0.81 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1
SCHEMBL9029031 0.79 ITGB3 (0.66) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL9028600 0.77 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7422004 0.77 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7422012 0.77 ITGB3 (0.54) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7417146 0.77 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1F10

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
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed