SCHEMBL7322293

SCHEMBL7322293

CN1C(=O)CN(C(CC(=O)OC(=O)C(F)(F)F)c2ccccc2)C(=O)c2cc(C#CC(=O)NCCN)ccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44
GAA P10253 1/20 0.32
HDAC1 Q13547 2/20 0.32
MAPT P10636 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
SCHEMBL7330000 0.92 ITGB3 (0.48) ITGB3ITGA2BGAAHDAC1HDAC6
SCHEMBL7330329 0.92 ITGB3 (0.37) ITGB3ITGA2BGAAMAPT
SCHEMBL7319597 0.91 ITGB3 (0.35) ITGB3ITGA2BGAA
SCHEMBL7331348 0.91 ITGB3 (0.50) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7321117 0.90 ITGB3 (0.34) ITGB3ITGA2BMAPT
SCHEMBL9319160 0.88 ITGB3 (0.52) ITGB3ITGA2BHDAC1HDAC6GABRA1
SCHEMBL7330448 0.86 ITGB3 (0.46) ITGB3ITGA2BHDAC1MAPTHDAC6
SCHEMBL7330627 0.85 ITGB3 (0.47) ITGB3ITGA2BGAAHDAC1HDAC6
SCHEMBL7334573 0.85 ITGB3 (0.46) ITGB3ITGA2BHDAC1HDAC6GABRA1
SCHEMBL7323284 0.85 ITGB3 (0.48) ITGB3ITGA2BHDAC1MAPTHDAC6

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