SCHEMBL16004156

SCHEMBL16004156

Cc1cccc(NC(=O)N2CCOc3ccc(COCc4cccc(F)c4)cc3C2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 16/20 0.57
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL16004094 0.94 GPR142 (0.64) GPR142FAAH
SCHEMBL16004157 0.91 GPR142 (0.58) GPR142FAAH
SCHEMBL16003998 0.91 GPR142 (0.51) GPR142ALDH1A1RAB9AFAAH
SCHEMBL16004310 0.89 GPR142 (0.53) GPR142MAPTRAB9A
SCHEMBL16004311 0.84 GPR142 (0.64) GPR142ALDH1A1RAB9A
SCHEMBL16004106 0.82 GPR142 (0.51) GPR142ALDH1A1MAPTRAB9AFAAH
SCHEMBL16004316 0.81 GPR142 (0.52) GPR142MAPTRAB9AFAAH
SCHEMBL16004158 0.81 RAB9A (0.48) GPR142ALDH1A1MAPTRAB9A
SCHEMBL16004092 0.80 GPR142 (0.53) GPR142
SCHEMBL16004105 0.80 GPR142 (0.55) GPR142FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014133414-A2 HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ ЛЛС (US) 2014-09-04 WO disclosed