SCHEMBL5780233

SCHEMBL5780233

Clc1ccc2nc(N3CC[CH]CC3)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.70
HRH4 Q9H3N8 4/20 0.70
HRH3 Q9Y5N1 5/20 0.65
HTR3E A5X5Y0 4/20 0.55
HTR3B O95264 4/20 0.55
HTR3D Q70Z44 4/20 0.55
HTR3C Q8WXA8 4/20 0.55
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.44
SLC6A4 P31645 2/20 0.44
THPO P40225 2/20 0.44
HTR1A P08908 2/20 0.44
USP2 O75604 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR7 P34969 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL16695094 0.87 HRH4 (0.74) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL5780238 0.85 HTR3A (0.72) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL29293410 0.85 HTR3A (0.72) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL605050 0.83 HRH4 (1.00) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL4182196 0.83 HTR3A (0.80) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL21154479 0.83 HTR3A (0.68) HTR3AHRH4HRH3HTR3EHTR3B
Hydrochloric Acid SCHEMBL4059444 0.81 HTR3A (0.78) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL13648774 0.79 HRH3 (1.00) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL6371066 0.79 HTR3A (0.68) HTR3AHRH4HRH3HTR3EHTR3B
SCHEMBL13648823 0.79 HTR3A (0.72) HTR3AHRH4HRH3HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216291-A Carbamate derivatives containing alkyl-heterocycles, preparation and therapeutic use thereof SANOFI AVENTIS 2011-10-12 CN disclosed
EP-1633735-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-03-15 EP disclosed
WO-2004099176-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-11-18 WO disclosed