SCHEMBL6798249

SCHEMBL6798249

COc1cccc(N2CC(C)NC(C)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.57
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
ACACB O00763 1/20 0.39
OGA O60502 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
LCAT P04180 1/20 0.37
CHRM4 P08173 1/20 0.37
GHSR Q92847 2/20 0.36
PTPN11 Q06124 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL29904753 0.81 ALOX5 (0.50) ALOX5HCRTR1HCRTR2HRH3BACE1
SCHEMBL20343479 0.78 HCRTR1 (0.47) ALOX5HCRTR1HCRTR2HRH3BACE1
SCHEMBL7392423 0.77 ALOX5 (0.46) ALOX5HCRTR1HCRTR2HRH3BACE1
SCHEMBL2330398 0.77 ALOX5 (0.46) ALOX5HCRTR1HCRTR2HRH3BACE1
Hydrochloric Acid SCHEMBL9005370 0.76 ALOX5 (0.45) ALOX5HCRTR1HCRTR2HRH3BACE1
SCHEMBL22547430 0.75 ALOX5 (0.51) ALOX5HRH3BACE1BACE2ACACB
SCHEMBL6529664 0.75 ALOX5 (0.51) ALOX5HRH3OGAHTR1AHTR2A
SCHEMBL2327416 0.75 ALOX5 (0.44) ALOX5HCRTR1HCRTR2HRH3BACE1
SCHEMBL2412819 0.74 HTR3E (0.58) ALOX5HRH3OGAHTR1ADRD3
SCHEMBL25236219 0.74 CTSS (0.44) ALOX5LCATGHSRPTPN11PIM1

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