SCHEMBL16004002

SCHEMBL16004002

COC(=O)c1cccc(NC(=O)N2CCOc3ccc(COCCN4CCCC4)cc3C2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 14/20 0.47
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.42
FAAH O00519 2/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL16004004 0.88 GPR142 (0.49) GPR142LMNAALDH1A1FAAH
SCHEMBL16004005 0.88 GPR142 (0.48) GPR142LMNAALDH1A1
SCHEMBL16004321 0.87 GPR142 (0.54) GPR142LMNAALDH1A1
SCHEMBL16004001 0.85 GPR142 (0.49) GPR142LMNAALDH1A1
SCHEMBL16003996 0.82 GPR142 (0.60) GPR142LMNAALDH1A1FAAHMAPT
SCHEMBL16004324 0.82 ALDH1A1 (0.44) GPR142LMNAALDH1A1MAPT
SCHEMBL16004158 0.81 RAB9A (0.48) GPR142LMNAALDH1A1MAPT
SCHEMBL16004310 0.79 GPR142 (0.53) GPR142MAPT
SCHEMBL16003998 0.77 GPR142 (0.51) GPR142ALDH1A1FAAH
SCHEMBL16004312 0.77 NPC1 (0.46) GPR142LMNAMAPT

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