SCHEMBL8117293

SCHEMBL8117293

CCOC(=O)CCc1cccc(NC(=O)N[C@H]2CCN(c3ccc(C=NN)cc3)C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
FPR2 P25090 15/20 0.42
FPR1 P21462 9/20 0.42
NPY1R P25929 3/20 0.39
ROCK2 O75116 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
Trifluoroacetic Acid SCHEMBL7422393 0.95 ITGB3 (0.46) ITGB3ITGA2BFPR2FPR1NPY1R
SCHEMBL8116040 0.90 FPR2 (0.47) ITGB3ITGA2BFPR2FPR1NPY1R
SCHEMBL8117290 0.87 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1NPY1R
SCHEMBL8117283 0.87 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1NPY1R
Trifluoroacetic Acid SCHEMBL7414816 0.86 FPR2 (0.44) FPR2FPR1NPY1R
SCHEMBL7420917 0.86 ITGB3 (0.49) ITGB3ITGA2BFPR2FPR1NPY1R
SCHEMBL7420920 0.86 ITGB3 (0.49) ITGB3ITGA2BFPR2FPR1NPY1R
Trifluoroacetic Acid SCHEMBL7422390 0.82 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1NPY1R
SCHEMBL7415142 0.82 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1
Trifluoroacetic Acid SCHEMBL8121463 0.81 FPR2 (0.46) ITGB3ITGA2BFPR2FPR1NPY1R

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 2 patents. 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
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed