SCHEMBL3581040

SCHEMBL3581040

Nc1c(Cl)cc(Cl)c(F)c1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.39
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
SCN9A Q15858 4/20 0.37
CNR1 P21554 1/20 0.36
EPHX1 P07099 1/20 0.36
SLC6A9 P48067 4/20 0.36
KCNH2 Q12809 3/20 0.36

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
SCHEMBL3573419 0.87 GRM2 (0.39) STAT3LPAR1LPAR5TRPM8EPHX1
SCHEMBL3581091 0.87 STAT3 (0.39) STAT3LPAR1LPAR5SCN9ACNR1
SCHEMBL27750943 0.83 CNR1 (0.40) STAT3LPAR1LPAR5SCN9ACNR1
SCHEMBL12521063 0.82 STAT3 (0.43) STAT3LPAR1LPAR5TRPM8SCN9A
SCHEMBL27730488 0.82 SLC6A9 (0.35) STAT3LPAR1LPAR5TRPM8SCN9A
SCHEMBL3581035 0.82 CNR1 (0.39) STAT3LPAR1LPAR5SCN9ACNR1
SCHEMBL27731176 0.81 STAT3 (0.42) STAT3LPAR1LPAR5TRPM8SCN9A
SCHEMBL3571214 0.80 CNR1 (0.38) STAT3LPAR1LPAR5SCN9ACNR1
SCHEMBL27750956 0.80 STAT3 (0.38) STAT3LPAR1LPAR5SCN9ACNR1
SCHEMBL27730487 0.80 CNR1 (0.35) STAT3LPAR1LPAR5SCN9ACNR1

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 1 patent. 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