SCHEMBL7325148

SCHEMBL7325148

CCOC(=O)CC(C)N1CC(=O)N(c2ccccc2)c2ccc(CCCC(S)NC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
GAA P10253 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ABCB1 P08183 1/20 0.32
TSHR P16473 1/20 0.31
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
GABRB2 P47870 1/20 0.31
GABRA6 Q16445 1/20 0.31
CTSK P43235 6/20 0.31
CASP3 P42574 1/20 0.31
CTSS P25774 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31

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
SCHEMBL7330816 0.92 MEN1 (0.33) GAAPDCD1CD274ABCB1TSHR
SCHEMBL7330420 0.90 HDAC1 (0.34) ITGB3ITGA2BTSHRCTSKCTSS
SCHEMBL7330995 0.89 ITGB3 (0.38) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7327778 0.89 GABRA1 (0.33) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7335699 0.87 PDCD1 (0.38) PDCD1CD274
SCHEMBL7328434 0.84 SCN9A (0.32) GAAPDCD1CD274TSHRCTSK
SCHEMBL7327357 0.84 SCN9A (0.33) CTSKSCN9A
SCHEMBL7331888 0.83 SCN9A (0.35) ITGB3ITGA2BTSHRGABRA1GABRG2
SCHEMBL7331085 0.82 MEN1 (0.32) GAATSHRGABRA1GABRG2GABRB3
SCHEMBL7323078 0.82 PPIA (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3

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 7 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
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