SCHEMBL7362416

SCHEMBL7362416

CCC(C(=O)O)N1CC(=O)N(C(C)C)c2ccc(OCCC3CCNCC3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.45
ITGA2B P08514 18/20 0.45
ITGAV P06756 1/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36
ITGA2 P17301 1/20 0.36
DHODH Q02127 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
SCHEMBL7358863 0.90 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7357962 0.90 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7358251 0.88 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7362418 0.84 ITGB3 (0.47) ITGB3ITGA2BDHODH
SCHEMBL7354066 0.84 ITGB3 (0.42) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7359468 0.83 ITGB3 (0.51) ITGB3ITGA2BITGA2
SCHEMBL7352648 0.83 ITGB3 (0.43) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7359355 0.81 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7353720 0.81 ITGB3 (0.40) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7358255 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAVCHRM2SLC6A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed