SCHEMBL7334649

SCHEMBL7334649

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(C#Cc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
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
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
TNF P01375 1/20 0.36
GRM5 P41594 3/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
ELANE P08246 2/20 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
SCHEMBL7320902 0.91 ITGB3 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7320773 0.91 ITGB3 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7324239 0.89 MEN1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7329950 0.89 ITGB3 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7323709 0.88 MAPT (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7324973 0.88 ITGB3 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7325626 0.87 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7329828 0.83 KMT2A (0.39) CYP1A2MAPTMEN1KMT2A
SCHEMBL7321448 0.82 ELANE (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8842910 0.82 MEN1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3

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