SCHEMBL2297580

SCHEMBL2297580

FC(F)(F)CCOc1ccc2c(c1)CC[N]C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
ACACB O00763 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
BACE1 P56817 3/20 0.36
APP P05067 2/20 0.36
KDM4C Q9H3R0 4/20 0.36
SCN9A Q15858 1/20 0.36
TSHR P16473 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL2358834 0.85 GPR3 (0.38) MAOBSMN1; SMN2BACE1KDM4CSCN9A
SCHEMBL15839757 0.80 TSHR (0.51) MAOBACACBHRH3SMN1; SMN2NPC1
SCHEMBL2302727 0.79 PPARG (0.40) HRH3SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL5107236 0.79 HRH3 (0.63) HRH3SMN1; SMN2
SCHEMBL2302335 0.77 GPR3 (0.39) ACACBSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL17585106 0.75 HRH3 (0.59) MAOBACACBHRH3HRH1
SCHEMBL9882628 0.74 MAOB (0.48) MAOBACACBHRH3BACE1APP
SCHEMBL30205888 0.73 HRH3 (0.53) MAOBACACBHRH3SMN1; SMN2NPC1
SCHEMBL2090651 0.72 TRPV1 (0.38) HRH3SCN9ATSHR
SCHEMBL2094044 0.72 PDE4B (0.46) MAOBSCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed