SCHEMBL27730384

SCHEMBL27730384

CCNc1c(Cl)cccc1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.37
CNR1 P21554 1/20 0.37
SLC6A9 P48067 4/20 0.36
KCNH2 Q12809 3/20 0.36
SCN9A Q15858 1/20 0.36
LPAR1 Q92633 3/20 0.35
LPAR5 Q9H1C0 3/20 0.35
DHODH Q02127 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 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
SCHEMBL27750956 0.93 STAT3 (0.38) STAT3CNR1SLC6A9KCNH2SCN9A
SCHEMBL3584158 0.92 SCN9A (0.38) STAT3CNR1SLC6A9KCNH2SCN9A
SCHEMBL27750945 0.92 STAT3 (0.36) STAT3CNR1SLC6A9KCNH2SCN9A
SCHEMBL3575607 0.87 CNR1 (0.40) STAT3CNR1SLC6A9KCNH2SCN9A
SCHEMBL27731176 0.85 STAT3 (0.42) STAT3CNR1SCN9ALPAR1LPAR5
SCHEMBL3575613 0.85 SCN9A (0.39) STAT3CNR1SLC6A9KCNH2SCN9A
SCHEMBL3574442 0.84 SCN9A (0.37) STAT3CNR1SLC6A9KCNH2SCN9A
SCHEMBL3574145 0.84 SCN9A (0.39) STAT3CNR1SLC6A9KCNH2SCN9A
SCHEMBL3576581 0.83 SCN9A (0.39) STAT3CNR1SLC6A9KCNH2SCN9A
SCHEMBL27750947 0.83 STAT3 (0.36) STAT3CNR1SLC6A9KCNH2LPAR1

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
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed