SCHEMBL16004105

SCHEMBL16004105

O=C(Nc1ccccc1)N1CCOc2ccc(COCc3ccccc3F)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 15/20 0.55
FAAH O00519 3/20 0.51
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NAMPT P43490 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
SCHEMBL16004314 0.95 GPR142 (0.56) GPR142FAAHNAMPT
SCHEMBL16004157 0.88 GPR142 (0.58) GPR142FAAHNAMPT
SCHEMBL16004104 0.88 GPR142 (0.53) GPR142
SCHEMBL16004312 0.87 NPC1 (0.46) GPR142TSHR
SCHEMBL16004309 0.87 NPC1 (0.43) GPR142TSHRKDM4ENAMPT
SCHEMBL16004088 0.86 GPR142 (0.57) GPR142FAAHNAMPT
SCHEMBL16004094 0.83 GPR142 (0.64) GPR142FAAH
SCHEMBL16004106 0.81 GPR142 (0.51) GPR142FAAHNAMPT
SCHEMBL16004316 0.80 GPR142 (0.52) GPR142FAAH
SCHEMBL16004311 0.80 GPR142 (0.64) GPR142

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