SCHEMBL7330255

SCHEMBL7330255

CCOC(=O)CC(C)N1CC(=O)N(C)c2ccc(CCc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRM5 P41594 2/20 0.35
CYP1A2 P05177 1/20 0.35
FFAR1 O14842 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GABRB2 P47870 1/20 0.33
GABRA6 Q16445 1/20 0.33
CASP3 P42574 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
SCHEMBL7330796 0.91 GABRA1 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330261 0.89 ITGB3 (0.55) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7324345 0.89 GRM5 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7322816 0.89 MEN1 (0.38) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7328657 0.89 MAPT (0.40) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7355898 0.87 ITGB3 (0.43) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7333147 0.85 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7327008 0.81 TNF (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7332082 0.80 MDM2 (0.35) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7328359 0.80 ITGB3 (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
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