SCHEMBL3581091

SCHEMBL3581091

CC(=O)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 11)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.39
CNR1 P21554 1/20 0.38
SCN9A Q15858 3/20 0.36
SLC6A9 P48067 4/20 0.35
KCNH2 Q12809 3/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
MCHR1 Q99705 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR5 Q9H1C0 2/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL3584408 0.88 MEN1 (0.39) STAT3CNR1UBE2MDCUN1D1
SCHEMBL3576581 0.88 SCN9A (0.39) STAT3CNR1SCN9ASLC6A9KCNH2
SCHEMBL3581040 0.87 STAT3 (0.39) STAT3CNR1SCN9ASLC6A9KCNH2
SCHEMBL3571214 0.86 CNR1 (0.38) STAT3CNR1SCN9ASLC6A9KCNH2
SCHEMBL27750943 0.83 CNR1 (0.40) STAT3CNR1SCN9ASLC6A9KCNH2
SCHEMBL3574302 0.82 CNR1 (0.42) STAT3CNR1SCN9ASLC6A9KCNH2
SCHEMBL3575613 0.82 SCN9A (0.39) STAT3CNR1SCN9ASLC6A9KCNH2
SCHEMBL27750956 0.82 STAT3 (0.38) STAT3CNR1SCN9ASLC6A9KCNH2
SCHEMBL3581035 0.81 CNR1 (0.39) STAT3CNR1SCN9ASLC6A9KCNH2
SCHEMBL3580280 0.80 DCUN1D1 (0.36) STAT3CNR1UBE2MDCUN1D1

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