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SCHEMBL458859

SCHEMBL458859

CC(C)c1cc(CNC(=O)c2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)no1.CC(C)c1cc(CNC(=O)c2cnc(OCC3CC3)c(-c3ccc(Cl)cc3)c2)no1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 19/20 0.59
▸ CNR2 P34972 3/20 0.51
▸ KCNH2 Q12809 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ TACR2 P21452 1/20 0.42

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
SCHEMBL412379 0.94 CNR1 (0.56) CNR1CNR2KCNH2SCN5ASCN2A
SCHEMBL412214 0.94 CNR1 (0.63) CNR1CNR2TACR2
SCHEMBL411155 0.86 CNR1 (0.62) CNR1CNR2TACR2
SCHEMBL412252 0.83 CNR1 (0.58) CNR1CNR2KCNH2SCN5ASCN2A
SCHEMBL411550 0.81 CNR1 (0.62) CNR1CNR2TACR2
SCHEMBL412045 0.81 CNR1 (0.42) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL411578 0.80 CNR1 (0.61) CNR1CNR2TACR2
SCHEMBL411088 0.80 CNR1 (0.53) CNR1CNR2KCNH2SCN5ASCN2A
SCHEMBL412320 0.78 CNR1 (0.57) CNR1CNR2KCNH2SCN5ASCN2A
SCHEMBL412025 0.78 CNR2 (0.41) CNR2KCNH2SCN5ASCN2ASCN10A

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
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 — — EP disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — WO disclosed