SCHEMBL16004233

SCHEMBL16004233

CC(=O)N(C)Cc1ccc2c(c1)CN(C(=O)Cc1ccccc1)CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.47
NPC1 O15118 2/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
USP9X Q93008 1/20 0.42
HSD11B1 P28845 1/20 0.42
RAB9A P51151 1/20 0.41
RIPK1 Q13546 3/20 0.41
PIK3CA P42336 1/20 0.40
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.39
NAAA Q02083 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL16004274 0.87 RIPK1 (0.46) GPR142KMT2AHPGDALDH1A1GAA
SCHEMBL16004052 0.86 PIK3CA (0.52) HPGDALDH1A1GAATSHRRIPK1
SCHEMBL16004236 0.86 KDM4E (0.43) GPR142KMT2AHPGDALDH1A1GAA
SCHEMBL16004269 0.86 RIPK1 (0.46) GPR142KMT2AHPGDALDH1A1GAA
SCHEMBL16004068 0.85 MAPT (0.49) GPR142NPC1KMT2AHPGDALDH1A1
SCHEMBL16004249 0.84 RIPK1 (0.41) GPR142KMT2ARIPK1PIK3CA
SCHEMBL16004278 0.84 GPR142 (0.59) GPR142NPC1TSHRRAB9APOLB
SCHEMBL16004285 0.82 CREBBP (0.54)
SCHEMBL16004060 0.81 LMNA (0.43) GPR142NPC1ALDH1A1RIPK1PIK3CA
SCHEMBL16004117 0.81 KDM4E (0.43) GPR142KMT2AALDH1A1MAPTRIPK1

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