SCHEMBL8842887

SCHEMBL8842887

CCOC(=O)CC(C)N1CC(=O)N(C(C)C)c2ccc(C#CCCOc3cccnc3NC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
GABRA1 P14867 4/20 0.33
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRA3 P34903 4/20 0.33
GABRA2 P47869 4/20 0.33
GABRA6 Q16445 3/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
GABRB2 P47870 3/20 0.31
GABRA4 P48169 2/20 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
SCHEMBL7332371 0.94 ITGB3 (0.41) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7325293 0.93 MEN1 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL8842892 0.91 ITGB3 (0.35) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7321894 0.90 ITGB3 (0.35) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7326385 0.87 MEN1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7322942 0.86 MEN1 (0.36) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330383 0.85 MEN1 (0.35) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7327662 0.84 GBA1 (0.32)
SCHEMBL7323775 0.84 MEN1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7319105 0.82 ITGB3 (0.39) 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 5 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