SCHEMBL7333202

SCHEMBL7333202

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(C#CC(=O)NCC(N)C(=O)OC(C)(C)C)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
SCN9A Q15858 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
SCHEMBL7329948 0.93 MDM2 (0.33) MDM2GABRA1GABRG2GABRB3GABRA5
SCHEMBL7330806 0.92 MDM2 (0.32) MDM2
SCHEMBL7323596 0.92 MDM2 (0.31) MDM2
SCHEMBL7332636 0.91 MDM2 (0.35) MDM2
SCHEMBL9262540 0.90 SCN9A (0.34) MDM2GABRA1GABRG2GABRB3GABRA5
SCHEMBL8842968 0.85 MDM2 (0.32) MDM2SCN9A
SCHEMBL7326332 0.85 ITGB3 (0.34) MDM2ITGB3ITGA2BF2F10
SCHEMBL7319910 0.85 MDM2 (0.31) MDM2
SCHEMBL7322172 0.85 ITGB3 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7332703 0.84 MDM2 (0.36) MDM2ITGB3ITGA2B

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
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