SCHEMBL6794331

SCHEMBL6794331

c1ccc(CN2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.79
SIGMAR1 Q99720 1/20 0.64
ALDH1A1 P00352 1/20 0.62
TSHR P16473 1/20 0.62
CHKA P35790 1/20 0.60
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
HTR7 P34969 2/20 0.57
GAA P10253 1/20 0.56

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
SCHEMBL12861757 0.93 DRD4 (0.79) DRD4SIGMAR1ALDH1A1TSHRCHKA
SCHEMBL6031812 0.89 DRD4 (1.00) DRD4SIGMAR1ALDH1A1DRD2DRD3
SCHEMBL16226080 0.87 SIGMAR1 (0.78) DRD4SIGMAR1ALDH1A1TSHRCHKA
SCHEMBL588149 0.86 DRD4 (1.00) DRD4SIGMAR1ALDH1A1HTR2CDRD2
SCHEMBL15937826 0.85 DRD4 (0.78) DRD4SIGMAR1ALDH1A1HTR2CDRD2
SCHEMBL7498974 0.85 DRD4 (0.72) DRD4DRD2DRD3HTR7
SCHEMBL5548733 0.84 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL654308 0.84 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL2876563 0.84 DRD4 (1.00) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL5542706 0.84 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B

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 5 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
EP-1210340-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 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
WO-2001014355-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 WO disclosed