SCHEMBL7330443

SCHEMBL7330443

Cc1cc(OCC#Cc2ccc3c(c2)C(=O)N(C(C)CC(=O)OC(=O)C(F)(F)F)CC(=O)N3C)nc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRA6 Q16445 2/20 0.33
GABRB2 P47870 2/20 0.32
POLB P06746 1/20 0.32
GABRA4 P48169 1/20 0.31
NUDT1 P36639 1/20 0.30
HDAC1 Q13547 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7328878 0.92 ITGB3 (0.38) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7324069 0.91 ITGB3 (0.41) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7331663 0.90 ITGB3 (0.38) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7332960 0.89 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7333196 0.85 ITGB3 (0.38) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330885 0.85 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7328802 0.84 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8843625 0.83 MDM2 (0.32) ITGB3ITGA2BHDAC1
SCHEMBL7326126 0.83 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL7324581 0.81 ITGB3 (0.52) 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