SCHEMBL6793118

SCHEMBL6793118

CCN(CC)C(=O)C1(CCCCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.46
HTR1A P08908 5/20 0.42
KCNH2 Q12809 1/20 0.41
DRD2 P14416 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL6792470 0.90 HTR7 (0.45) HTR7HTR1AKCNH2DRD2DRD5
SCHEMBL6792842 0.84 DRD3 (0.46) HTR7KCNH2DRD2DRD3HTR2A
SCHEMBL6789349 0.84 HTR7 (0.45) HTR7HTR1AKCNH2DRD2DRD5
SCHEMBL6790535 0.84 HTR1A (0.50) HTR7HTR1AKCNH2DRD2DRD5
SCHEMBL6790988 0.83 DRD3 (0.46) HTR7KCNH2DRD2DRD3HTR2A
SCHEMBL6800314 0.82 HTR1A (0.46) HTR7HTR1AKCNH2DRD2DRD5
SCHEMBL6793341 0.82 HTR1A (0.46) HTR7HTR1AKCNH2DRD2DRD5
SCHEMBL6789329 0.82 HTR1A (0.44) HTR7HTR1AKCNH2DRD2DRD3
SCHEMBL6791987 0.81 GAA (0.47) HTR1ADRD2DRD3
SCHEMBL6791421 0.81 HTR1A (0.45) HTR7HTR1AKCNH2DRD2DRD5

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 1 patent. 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