SCHEMBL32667932

SCHEMBL32667932

O=[N+]([O-])c1ccccc1CNCCc1c[nH]c2ccccc12

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.68
MC3R P41968 2/20 0.68
MC1R Q01726 2/20 0.68
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
HTR6 P50406 1/20 0.59
CDK2 P24941 2/20 0.58
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTR2A P28223 1/20 0.56
GAA P10253 1/20 0.55
MAPT P10636 2/20 0.54
PKM P14618 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL20797914 1.00 MC5R (0.68) MC5RMC3RMC1RNPC1RAB9A
SCHEMBL798249 0.82 MC1R (1.00) MC5RMC3RMC1RHTR6HTT
SCHEMBL9302426 0.81 MEN1 (0.67) CDK2LMNAALDH1A1GAAMAPT
SCHEMBL2243271 0.81 MAPT (0.71) NPC1RAB9ACDK2LMNAHTT
SCHEMBL23055089 0.80 HDAC3 (0.54) MC5RMC3RMC1RNPC1RAB9A
SCHEMBL28268915 0.79 MC5R (0.80) MC5RMC3RMC1RHTR6HTT
SCHEMBL13949920 0.78 HDAC1 (0.70) MEN1KMT2A
SCHEMBL17232881 0.78 MC5R (0.83) MC5RMC3RMC1RHTR6LMNA
SCHEMBL28811757 0.78 MC1R (0.78) MC5RMC3RMC1RHTR6HTT
SCHEMBL18770219 0.78 MC5R (0.78) MC5RMC3RMC1RHTR6HTT

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-121426729-B Preparation of 2- (1H-indol-3-yl) -N- (2-nitrobenzyl) ethylamine derivatives and their use in the treatment of cardiac arrhythmias 上海市东方医院(同济大学附属东方医院) 2026-05-05 CN disclosed
CN-121426729-B Preparation of 2- (1H-indol-3-yl) -N- (2-nitrobenzyl) ethylamine derivatives and their use in the treatment of cardiac arrhythmias 上海市东方医院(同济大学附属东方医院) 2026-05-05 CN disclosed
CN-121426729-A Preparation of 2- (1H-indol-3-yl) -N- (2-nitrobenzyl) ethylamine derivatives and their use in the treatment of cardiac arrhythmias 上海市东方医院(同济大学附属东方医院) 2026-01-30 CN disclosed
CN-121426729-A Preparation of 2- (1H-indol-3-yl) -N- (2-nitrobenzyl) ethylamine derivatives and their use in the treatment of cardiac arrhythmias 上海市东方医院(同济大学附属东方医院) 2026-01-30 CN disclosed