SCHEMBL16004278

SCHEMBL16004278

CC(=O)N(C)Cc1ccc2c(c1)CN(C(=O)Nc1ccccc1)CCO2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 13/20 0.59
FAAH O00519 3/20 0.55
NAMPT P43490 2/20 0.50
TSHR P16473 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL16004070 0.91 GPR142 (0.49) GPR142FAAHNAMPTNPC1RAB9A
SCHEMBL16004073 0.90 GPR142 (0.60) GPR142FAAH
SCHEMBL16004071 0.90 GPR142 (0.60) GPR142FAAHNAMPTNPC1RAB9A
SCHEMBL16004282 0.89 GPR142 (0.54) GPR142FAAH
SCHEMBL16004068 0.87 MAPT (0.49) GPR142NAMPTTSHRNPC1RAB9A
SCHEMBL16004285 0.86 CREBBP (0.54)
SCHEMBL16004052 0.85 PIK3CA (0.52) TSHR
SCHEMBL16004269 0.84 RIPK1 (0.46) GPR142TSHRPOLBSMN1; SMN2
SCHEMBL16004284 0.84 GPR142 (0.42) GPR142FAAH
SCHEMBL16004233 0.84 GPR142 (0.47) GPR142FAAHTSHRNPC1RAB9A

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