SCHEMBL6794736

SCHEMBL6794736

Clc1ccccc1Oc1cccc(N2CCNCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HTR3A P46098 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
HTR1A P08908 2/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 13/20 0.52
HTR2A P28223 9/20 0.52
HTR2B P41595 8/20 0.52
ADRB1 P08588 3/20 0.46
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A4 P31645 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
SCHEMBL3266427 0.80 HTR3E (0.54) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL6793743 0.80 HTR3A (0.57) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL6791132 0.77 HTR3A (0.55) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL2412819 0.75 HTR3E (0.58) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL6793111 0.74 HTR3A (0.53) HTR3EHTR3BALDH1A1HTR3AHTR3D
Hydrochloric Acid SCHEMBL3849292 0.74 HTR3E (0.57) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL615260 0.73 HTR3E (1.00) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL3105181 0.71 HTR3E (0.54) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL31651893 0.71 HTR3E (0.54) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL3266629 0.71 HTR3A (0.54) HTR3EHTR3BALDH1A1HTR3AHTR3D

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
US-6818644-B1 FLUORENE-9-CARBOXYLIC AMIDES; INHIBITORS OF MICROSOMAL TRIGLYSERIDE-TRANSFER PROTEIN (MTP); ANTILIPEMIC AGENTS; ATHEROSCLEROSIS, DIABETES, EATING DISORDERS, AND PANCREATITIS BOEHRINGER INGELHEIM PHARM GMBH & CO, KG (DE) 2004-11-16 US disclosed
EP-1228053-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION AND USE THEREOF AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-08-07 EP disclosed
WO-2001021604-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE-TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-29 WO disclosed