SCHEMBL7322812

SCHEMBL7322812

CCOC(=O)CC(C)N1CC(=O)N(C(C)C)c2ccc(C#Cc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GRM5 P41594 3/20 0.39
CYP1A2 P05177 1/20 0.39
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
GABRB2 P47870 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
TNF P01375 1/20 0.34
HRH2 P25021 1/20 0.33

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
SCHEMBL7330261 0.90 ITGB3 (0.55) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7329950 0.90 ITGB3 (0.39) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330796 0.89 GABRA1 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7320902 0.87 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7328359 0.86 ITGB3 (0.43) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7329534 0.85 ITGB3 (0.42) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7324497 0.84 ITGB3 (0.46) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7325524 0.81 ITGB3 (0.38) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7320773 0.80 ITGB3 (0.47) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7361895 0.80 ITGB3 (0.34) ITGB3ITGA2BGABRA1GABRG2GABRB3

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