SCHEMBL3576382

SCHEMBL3576382

N#CCNc1ccc(Cl)cc1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.38
SCN9A Q15858 4/20 0.38
CNR1 P21554 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
EPHX2 P34913 1/20 0.34
DHODH Q02127 1/20 0.34
P2RX1 P51575 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL3576631 0.97 CNR1 (0.38) STAT3SCN9ACNR1LPAR1LPAR5
SCHEMBL3574145 0.92 SCN9A (0.39) STAT3SCN9ACNR1LPAR1LPAR5
SCHEMBL3583070 0.92 SCN9A (0.40) STAT3SCN9ACNR1LPAR1LPAR5
SCHEMBL3581174 0.89 LMNA (0.37) STAT3CNR1
SCHEMBL3575607 0.89 CNR1 (0.40) STAT3SCN9ACNR1LPAR1LPAR5
SCHEMBL3583320 0.89 CNR1 (0.41) STAT3SCN9ACNR1LPAR1LPAR5
SCHEMBL3583799 0.88 CNR1 (0.40) CNR1LPAR1LPAR5EPHX2P2RX1
SCHEMBL3576381 0.86 STAT3 (0.38) STAT3SCN9ACNR1LPAR1LPAR5
SCHEMBL3574442 0.86 SCN9A (0.37) STAT3SCN9ACNR1LPAR1LPAR5
SCHEMBL3577795 0.86 LMNA (0.38) STAT3CNR1

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 4 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
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