SCHEMBL7323162

SCHEMBL7323162

CCOC(=O)CC(C)N1CC(=O)N(c2ccccc2)c2ccc(C#CC(S)CNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
GAA P10253 1/20 0.33
CPB2 Q96IY4 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
GABRA1 P14867 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32
GABRA2 P47869 4/20 0.32
GABRB2 P47870 3/20 0.32
SYK P43405 1/20 0.31
GABRA6 Q16445 3/20 0.31
GABRA4 P48169 2/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL7325129 0.93 ITGB3 (0.34) ITGB3ITGA2BGAACPB2DDB1
SCHEMBL7363816 0.89 ITGB3 (0.46) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7334965 0.89 ITGB3 (0.38) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7332398 0.89 ITGB3 (0.39) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7323548 0.86 ITGB3 (0.39) ITGB3ITGA2BDDB1CRBNUTS2R
SCHEMBL7323458 0.84 GAA (0.32) GAACPB2UTS2RSYK
SCHEMBL7321637 0.84 UTS2R (0.36) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7329148 0.84 ITGB3 (0.40) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7330487 0.83 ITGB3 (0.40) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7331886 0.82 ITGB3 (0.33) ITGB3ITGA2BUTS2RGABRA1GABRG2

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