SCHEMBL3581035

SCHEMBL3581035

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
SCN9A Q15858 4/20 0.37
SLC6A9 P48067 4/20 0.37
KCNH2 Q12809 3/20 0.36
STAT3 P40763 2/20 0.36
EPHX2 P34913 2/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
DHODH Q02127 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL3571214 0.92 CNR1 (0.38) CNR1SCN9ASLC6A9KCNH2STAT3
SCHEMBL27750943 0.92 CNR1 (0.40) CNR1SCN9ASLC6A9KCNH2STAT3
SCHEMBL3586258 0.92 CNR1 (0.34) CNR1SCN9ASLC6A9KCNH2STAT3
SCHEMBL3581545 0.88 CNR1 (0.40) CNR1SLC6A9EPHX2LPAR1LPAR5
SCHEMBL3578656 0.88 MCL1 (0.37) CNR1
SCHEMBL3583320 0.87 CNR1 (0.41) CNR1SCN9ASLC6A9KCNH2STAT3
SCHEMBL3586256 0.85 STAT3 (0.35) CNR1SCN9ASLC6A9KCNH2STAT3
SCHEMBL27750956 0.85 STAT3 (0.38) CNR1SCN9ASLC6A9KCNH2STAT3
SCHEMBL27730487 0.84 CNR1 (0.35) CNR1SCN9ASLC6A9KCNH2STAT3
SCHEMBL3583070 0.84 SCN9A (0.40) CNR1SCN9ASLC6A9KCNH2STAT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed