SCHEMBL16004282

SCHEMBL16004282

CC(=O)N(C)Cc1ccc2c(c1)CN(C(=O)Nc1cccnc1)CCO2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 18/20 0.54
FAAH O00519 2/20 0.50
CYP2D6 P10635 2/20 0.47

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
SCHEMBL16004415 0.91 GPR142 (0.51) GPR142FAAHCYP2D6
SCHEMBL16004073 0.89 GPR142 (0.60) GPR142FAAHCYP2D6
SCHEMBL16004278 0.89 GPR142 (0.59) GPR142FAAH
SCHEMBL16004070 0.84 GPR142 (0.49) GPR142FAAHCYP2D6
SCHEMBL16004071 0.83 GPR142 (0.60) GPR142FAAHCYP2D6
SCHEMBL16004285 0.82 CREBBP (0.54)
SCHEMBL16004269 0.79 RIPK1 (0.46) GPR142
SCHEMBL16004055 0.79 PIK3CA (0.49) GPR142
SCHEMBL16004068 0.79 MAPT (0.49) GPR142
SCHEMBL16004284 0.78 GPR142 (0.42) GPR142FAAHCYP2D6

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