SCHEMBL7329948

SCHEMBL7329948

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.33
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
HDAC1 Q13547 1/20 0.31
P2RX3 P56373 1/20 0.30
SCN9A Q15858 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 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
SCHEMBL7333202 0.93 MDM2 (0.32) MDM2GABRA1GABRG2GABRB3GABRA5
SCHEMBL8842968 0.93 MDM2 (0.32) MDM2SCN9A
SCHEMBL7319910 0.92 MDM2 (0.31) MDM2
SCHEMBL7332703 0.91 MDM2 (0.36) MDM2ITGB3ITGA2B
SCHEMBL9264467 0.89 MDM2 (0.34) MDM2GABRA1GABRG2GABRB3GABRA5
SCHEMBL7330806 0.86 MDM2 (0.32) MDM2
SCHEMBL7331594 0.85 NR1H2 (0.34) MDM2ITGB3ITGA2BP2RX3SCN9A
SCHEMBL7323596 0.85 MDM2 (0.31) MDM2
SCHEMBL7332636 0.84 MDM2 (0.35) MDM2
SCHEMBL7328784 0.83 MDM2 (0.34) MDM2GABRA1GABRG2GABRB3GABRA5

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