SCHEMBL3584158

SCHEMBL3584158

CCNc1c(Cl)cc(Cl)cc1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
CNR1 P21554 1/20 0.38
STAT3 P40763 2/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
EPHX2 P34913 1/20 0.36
SLC6A9 P48067 4/20 0.35
KCNH2 Q12809 3/20 0.35
DHODH Q02127 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HTR5A P47898 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
SCHEMBL3575613 0.93 SCN9A (0.39) SCN9ACNR1STAT3LPAR1LPAR5
SCHEMBL27730384 0.92 STAT3 (0.37) SCN9ACNR1STAT3LPAR1LPAR5
SCHEMBL3574442 0.92 SCN9A (0.37) SCN9ACNR1STAT3LPAR1LPAR5
SCHEMBL3576581 0.91 SCN9A (0.39) SCN9ACNR1STAT3LPAR1LPAR5
SCHEMBL3575607 0.89 CNR1 (0.40) SCN9ACNR1STAT3LPAR1LPAR5
SCHEMBL3574145 0.86 SCN9A (0.39) SCN9ACNR1STAT3LPAR1LPAR5
SCHEMBL27750956 0.85 STAT3 (0.38) SCN9ACNR1STAT3LPAR1LPAR5
SCHEMBL27750945 0.84 STAT3 (0.36) SCN9ACNR1STAT3LPAR1LPAR5
SCHEMBL3583320 0.84 CNR1 (0.41) SCN9ACNR1STAT3LPAR1LPAR5
SCHEMBL3574440 0.84 STAT3 (0.36) SCN9ACNR1STAT3LPAR1LPAR5

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