SCHEMBL7361583

SCHEMBL7361583

CC(C)(C(=O)O)N1CC(=O)N(Cc2ccc(F)cc2F)c2ccc(CCCCCCN)cc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CHRM5 P08912 2/20 0.32
AKR1B1 P15121 1/20 0.32
TRPA1 O75762 1/20 0.32
ENPP2 Q13822 1/20 0.32
RXRA P19793 1/20 0.32
PPARD Q03181 1/20 0.32
ACHE P22303 4/20 0.32
ALDH1A1 P00352 2/20 0.32
CPB2 Q96IY4 2/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CPB1 P15086 1/20 0.31
ALDH3A1 P30838 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
SCHEMBL7363494 0.87 CHRM5 (0.38) EDNRBEDNRACHRM5ALDH1A1CPB2
SCHEMBL7361484 0.85 PPARG (0.37) PPARGPPARAPPARDALDH1A1CPB2
SCHEMBL7361582 0.83 EDNRB (0.34) EDNRBEDNRAAKR1B1TRPA1ACHE
SCHEMBL7357840 0.83 ITGB3 (0.38) AKR1B1TRPA1ACHEALDH1A1ADRA1D
SCHEMBL7361585 0.83 TRPA1 (0.34) EDNRBEDNRAAKR1B1TRPA1ACHE
SCHEMBL7359028 0.82 NAAA (0.37) ACHEALDH1A1
SCHEMBL7362405 0.79 CHRM5 (0.43) EDNRBEDNRACHRM5ALDH1A1CPB2
SCHEMBL9282414 0.79 ACHE (0.33) PPARGEDNRBEDNRACHRM5ACHE
SCHEMBL7353724 0.74 ITGB3 (0.41) EDNRBEDNRACHRM5
SCHEMBL7355543 0.73 ITGB3 (0.39) PPARGPPARACHRM5PPARD

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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed