SCHEMBL7323774

SCHEMBL7323774

COC(=O)C(C)CN1CC(=O)N(C)c2ccc(C#CCCC(C)NC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
GABRG2 P18507 5/20 0.37
GABRB3 P28472 5/20 0.37
GABRA5 P31644 5/20 0.37
GABRA1 P14867 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA2 P47869 4/20 0.37
GABRA6 Q16445 4/20 0.37
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 2/20 0.34
GABRA4 P48169 3/20 0.33
GABRB2 P47870 2/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
TNF P01375 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL7329581 0.83 GABRA1 (0.33) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7332884 0.75 HDAC1 (0.40) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7329048 0.73 CASP3 (0.41) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7329405 0.72 ITGB3 (0.44) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7331758 0.70 ITGB3 (0.46) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7327044 0.70 ITGB3 (0.44) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL9318041 0.67 ITGB3 (0.46) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7333049 0.65 ITGB3 (0.40) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL9318037 0.64 ITGB3 (0.44) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7363816 0.64 ITGB3 (0.46) ITGB3ITGA2BGABRG2GABRB3GABRA5

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-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed