SCHEMBL1035347

SCHEMBL1035347

N#Cc1ccc(CN(C(=O)c2ccc(C(=O)O)cc2)C2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.69
NSD3 Q9BZ95 1/20 0.54
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
DPP4 P27487 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.47
AGER Q15109 3/20 0.46
MTNR1A P48039 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
SLC6A3 Q01959 1/20 0.43
GCGR P47871 1/20 0.42
PDK2 Q15119 1/20 0.42

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
SCHEMBL1033157 0.86 NSD2 (0.64) NSD2NSD3SLC6A2SLC6A4DPP4
SCHEMBL14264085 0.85 NSD2 (0.61) NSD2NSD3SLC6A2SLC6A4DPP4
SCHEMBL2233154 0.77 AGER (0.58) NSD2SLC6A2SLC6A4AGERMTNR1A
SCHEMBL2233149 0.77 AGER (0.58) NSD2SLC6A2SLC6A4AGERMTNR1A
SCHEMBL8267199 0.76 NSD2 (0.51) NSD2NSD3SLC6A2SLC6A4DPP4
SCHEMBL14264105 0.74 NSD2 (0.48) NSD2NSD3SLC6A2SLC6A4DPP4
SCHEMBL4660330 0.74 NSD2 (0.52) NSD2SLC6A2SLC6A4DPP4MAPKAPK2
SCHEMBL16578992 0.74 EGLN1 (0.50) NSD2NSD3SLC6A2SLC6A4PDK2
SCHEMBL4658111 0.74 NSD2 (0.52) NSD2SLC6A2SLC6A4DPP4MAPKAPK2
SCHEMBL3811903 0.72 DCUN1D1 (0.58) SLC6A2SLC6A4AGERMTNR1ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079769-A Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-12-15 CN disclosed
CN-106928211-B Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-09-08 CN disclosed
CN-106928211-A Benzamide compound for treating dysbolism 里格尔药品股份有限公司 2017-07-07 CN disclosed
CN-104016980-B For treating the benzamide compound of dysbolismus 里格尔药品股份有限公司 2016-12-07 CN disclosed
EP-2276761-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed