SCHEMBL7322172

SCHEMBL7322172

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(C)c2ccc(C#CC(=O)NCC(N)C(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
GABRA1 P14867 5/20 0.33
GABRG2 P18507 5/20 0.33
GABRB3 P28472 5/20 0.33
GABRA5 P31644 5/20 0.33
GABRA3 P34903 5/20 0.33
GABRA2 P47869 5/20 0.33
GABRA6 Q16445 4/20 0.33
GABRA4 P48169 3/20 0.33
GABRB2 P47870 3/20 0.33
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
HDAC1 Q13547 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7332766 0.92 ITGB3 (0.35) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7329141 0.92 ITGB3 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330042 0.91 ITGB3 (0.34) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7327746 0.90 ITGB3 (0.48) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7333202 0.85 MDM2 (0.32) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330487 0.84 ITGB3 (0.40) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7325806 0.84 MEN1 (0.34) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7324001 0.83 ITGB3 (0.39) ITGB3ITGA2BMAPTHDAC1
SCHEMBL7333049 0.83 ITGB3 (0.40) ITGB3ITGA2BHDAC1
SCHEMBL7329148 0.83 ITGB3 (0.40) 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 6 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
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