SCHEMBL7325378

SCHEMBL7325378

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(C(C)C)c2ccc(C#CCOc3cc(C)nc(NC(=O)OC(C)(C)C)n3)cc2C1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL7327506 0.93 ITGB3 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7334607 0.92 ITGB3 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7321719 0.92 GABRA1 (0.32) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7329257 0.91 GABRA1 (0.31) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7322383 0.87 MEN1 (0.31)
SCHEMBL7328637 0.87
SCHEMBL7332786 0.86 ITGB3 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7324150 0.85 ITGB3 (0.42) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7334527 0.85 ITGB3 (0.35) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL8842770 0.83

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
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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed