SCHEMBL7329950

SCHEMBL7329950

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(C(C)C)c2ccc(C#Cc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
TNF P01375 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GRM5 P41594 3/20 0.36
CYP1A2 P05177 1/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL7320773 0.91 ITGB3 (0.47) ITGB3ITGA2BTNFGABRA1GABRG2
SCHEMBL7322812 0.90 ITGB3 (0.44) ITGB3ITGA2BTNFGABRA1GABRG2
SCHEMBL7327008 0.89 TNF (0.37) TNFGABRA1GABRG2GABRB3GABRA5
SCHEMBL7334649 0.89 GABRA1 (0.38) ITGB3ITGA2BTNFGABRA1GABRG2
SCHEMBL7323709 0.88 MAPT (0.39) ITGB3ITGA2BTNFGABRA1GABRG2
SCHEMBL7333110 0.88 ITGB3 (0.37) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330741 0.87 MAPT (0.44) ITGB3ITGA2BTNFGABRA1GABRG2
SCHEMBL7334373 0.83 MEN1 (0.39) MAPTMEN1KMT2A
SCHEMBL7332173 0.82 TNF (0.37) TNFGABRA1GABRG2GABRB3GABRA5
SCHEMBL7320902 0.82 ITGB3 (0.44) 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