SCHEMBL7329405

SCHEMBL7329405

CCOC(=O)CCN1CC(=O)N(C)c2ccc(C#CCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CNR1 P21554 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 2/20 0.40
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
DRD2 P14416 4/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
ADORA3 P0DMS8 5/20 0.36
BRD4 O60885 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL7318850 0.98 ITGB3 (0.45) ITGB3ITGA2BCNR1HDAC1HDAC6
SCHEMBL7332546 0.89 CNR1 (0.42) ITGB3ITGA2BCNR1HDAC1HDAC6
SCHEMBL7327044 0.88 ITGB3 (0.44) ITGB3ITGA2BCNR1HDAC1HDAC6
SCHEMBL7330124 0.88 CNR1 (0.37) ITGB3ITGA2BCNR1HDAC1HDAC6
SCHEMBL7330156 0.88 CNR1 (0.37) ITGB3ITGA2BCNR1HDAC1HDAC6
SCHEMBL7322934 0.86 CNR1 (0.41) ITGB3ITGA2BCNR1HDAC1HDAC6
SCHEMBL7330736 0.86 CNR1 (0.36) ITGB3ITGA2BCNR1HDAC1HDAC6
SCHEMBL9317624 0.85 DDB1 (0.40) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7331758 0.84 ITGB3 (0.46) ITGB3ITGA2BCNR1HDAC1HDAC6
SCHEMBL7332339 0.84 POLB (0.36) CNR1TPSAB1TPSD1TPSG1DRD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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