SCHEMBL6791132

SCHEMBL6791132

Clc1cccc(Oc2cccc(N3CCNCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.55
HTR3E A5X5Y0 3/20 0.55
HTR3B O95264 3/20 0.55
HTR3D Q70Z44 3/20 0.55
HTR3C Q8WXA8 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HTR2C P28335 6/20 0.52
HTR2A P28223 3/20 0.52
HTR2B P41595 3/20 0.52
HTR1A P08908 3/20 0.51
ADRB1 P08588 2/20 0.51
HTR7 P34969 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
FPR3 P25089 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51

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
SCHEMBL6793743 0.86 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3266427 0.85 HTR3E (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL11545709 0.79 HTR2C (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6793111 0.78 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6794736 0.77 HTR3E (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2412819 0.74 HTR3E (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL547169 0.73 HTR1A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL3849292 0.73 HTR3E (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL24147522 0.72 HTR2A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29668697 0.72 HTR2A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C

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