SCHEMBL27601264

SCHEMBL27601264

CN(Cc1ccccc1)C(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.53
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL27601267 0.86 EPHX1 (0.49) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL4192667 0.86 EPHX1 (0.49) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL753794 0.85 NR4A2 (0.49) NR4A2ALDH1A1LMNATDP1
SCHEMBL13379550 0.85 NR4A2 (0.49) NR4A2ALDH1A1LMNATDP1
Hydrochloric Acid SCHEMBL4208521 0.85 EPHX1 (0.47) KMT2AMEN1NPC1RAB9AADRA2B
Hydrochloric Acid SCHEMBL4198787 0.83 EPHX1 (0.46) KMT2AMEN1NPC1RAB9AADRA2B
Hydrochloric Acid SCHEMBL4203337 0.83 EPHX1 (0.46) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL4560731 0.82 ALDH1A1 (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2479783 0.81 MEN1 (0.51) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL29018886 0.81 MEN1 (0.51) KMT2AMEN1NPC1RAB9ACA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1880304-B Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER 2010-11-24 CN disclosed
CN-1522246-B Triamide-substituted indoles, benzofurans and benzothiophenes PFIZER 2010-04-21 CN disclosed
CN-1880304-A Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER (US) 2006-12-20 CN disclosed
CN-1522246-A Triamide-substituted indoles, benzofurans and benzothiophenes as inhibitors of microsomal triglyceride transfer protein (MTP) and/or apolipoprotein B (APO B) secretion �Ʒ� 2004-08-18 CN disclosed