SCHEMBL16004244

SCHEMBL16004244

CNCC(=O)N1CCOc2ccc(CN(CCc3ccccc3)C(C)=O)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.37
MGLL Q99685 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CREBBP Q92793 5/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RIPK1 Q13546 1/20 0.36
FAAH O00519 1/20 0.36
ATM Q13315 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL16004290 0.89 CREBBP (0.47) GPR142CREBBP
SCHEMBL16004117 0.89 KDM4E (0.43) GPR142MGLLALDH1A1KDM4EALOX15
SCHEMBL16004286 0.85 GPR142 (0.41) GPR142MGLLALDH1A1CREBBPNPSR1
SCHEMBL16004249 0.84 RIPK1 (0.41) GPR142CREBBPMEN1KMT2ARIPK1
SCHEMBL16004421 0.79 GPR142 (0.43) GPR142ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL16004233 0.77 GPR142 (0.47) GPR142ALDH1A1MAPTTSHRLMNA
SCHEMBL16004291 0.76 MAPT (0.47) GPR142KDM4EHSD17B10CREBBPMAPT
SCHEMBL16003966 0.76 MEN1 (0.36) MGLLALDH1A1KDM4EMAPTTSHR
SCHEMBL16003971 0.76 MAPT (0.35) MGLLALDH1A1KDM4EMAPTTSHR
SCHEMBL16003967 0.75 LMNA (0.40) MGLLALDH1A1KDM4EMAPTLMNA

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