SCHEMBL9029031

SCHEMBL9029031

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

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.66
ITGA2B P08514 7/20 0.66
FPR2 P25090 12/20 0.41
FPR1 P21462 8/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7448817 0.95 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7411805 0.95 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL9095786 0.89 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL9029015 0.87 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7448806 0.83 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL7411796 0.83 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1
SCHEMBL7418344 0.83 ITGB3 (0.80) ITGB3ITGA2BFPR2FPR1
SCHEMBL7422015 0.82 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1HDAC1
Acetic Acid SCHEMBL9095776 0.82 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1
SCHEMBL7451885 0.82 ITGB3 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed