SCHEMBL6793111

SCHEMBL6793111

COc1ccc(Oc2cccc(N3CCNCC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.53
ADRB1 P08588 3/20 0.53
HTR3E A5X5Y0 3/20 0.53
HTR3B O95264 3/20 0.53
HTR3D Q70Z44 3/20 0.53
HTR3C Q8WXA8 3/20 0.53
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 2/20 0.50
HTR1A P08908 4/20 0.47
HTR7 P34969 2/20 0.47
HTR2C P28335 1/20 0.46
HTR1B P28222 2/20 0.45
HTR1D P28221 1/20 0.45
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LTA4H P09960 1/20 0.43
PIM1 P11309 1/20 0.43

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 0.87 HTR3E (0.54) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL6793743 0.86 HTR3A (0.57) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL2412819 0.85 HTR3E (0.58) HTR3AADRB1HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL3849292 0.84 HTR3E (0.57) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL6791132 0.78 HTR3A (0.55) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL3105181 0.75 HTR3E (0.54) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL3266629 0.75 HTR3A (0.54) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL3109301 0.75 HTR3A (0.50) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL6794736 0.74 HTR3E (0.56) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL9014722 0.73 HTR3A (0.51) HTR3AADRB1HTR3EHTR3BHTR3D

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