SCHEMBL16004104

SCHEMBL16004104

O=C(Nc1ccc(F)cc1F)N1CCOc2ccc(COCc3ccccc3F)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 10/20 0.53
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
EEF2K O00418 1/20 0.42
RIPK1 Q13546 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39

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 0.90 GPR142 (0.56) GPR142NPC1RAB9A
SCHEMBL16004105 0.88 GPR142 (0.55) GPR142
SCHEMBL16004309 0.82 NPC1 (0.43) GPR142POLBNPC1RAB9AALDH1A1
SCHEMBL16004157 0.80 GPR142 (0.58) GPR142
SCHEMBL16004312 0.80 NPC1 (0.46) GPR142POLBNPC1RAB9AKMT2A
SCHEMBL16004094 0.79 GPR142 (0.64) GPR142
SCHEMBL16004087 0.78 MAPT (0.53) GPR142RIPK1POLBALDH1A1KMT2A
SCHEMBL16004319 0.78 GPR142 (0.60) GPR142POLBALDH1A1PKM
SCHEMBL16004093 0.77 GPR142 (0.54) GPR142TAS1R3TAS1R1TAS1R2POLB
SCHEMBL16004092 0.76 GPR142 (0.53) GPR142RIPK1

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