SCHEMBL16003995

SCHEMBL16003995

CCOc1ccccc1NC(=O)N1CCOc2ccc(COCCc3ccc(Cl)cc3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 7/20 0.49
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
RAB9A P51151 1/20 0.39
BLM P54132 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
SCHEMBL16003997 0.90 GPR142 (0.53) GPR142MAPTALDH1A1LMNAMEN1
SCHEMBL16004000 0.87 GPR142 (0.51) GPR142MAPTALDH1A1LMNAMEN1
SCHEMBL16004317 0.86 GPR142 (0.61) GPR142MAPTALDH1A1MEN1KMT2A
SCHEMBL16004318 0.86 GPR142 (0.58) GPR142MAPTALDH1A1LMNAMEN1
SCHEMBL16004320 0.85 GPR142 (0.51) GPR142MAPTALDH1A1LMNAMEN1
SCHEMBL16003994 0.83 GPR142 (0.60) GPR142MAPTALDH1A1
SCHEMBL16004323 0.83 GPR142 (0.65) GPR142MAPTALDH1A1MEN1KMT2A
SCHEMBL16003996 0.78 GPR142 (0.60) GPR142MAPTALDH1A1LMNAMEN1
SCHEMBL16004319 0.78 GPR142 (0.60) GPR142MAPTALDH1A1SMN1; SMN2
SCHEMBL16004088 0.78 GPR142 (0.57) GPR142MEN1KMT2A

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