SCHEMBL6790535

SCHEMBL6790535

O=C(N1CC1)C1(CCCCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.50
HTR7 P34969 6/20 0.50
DRD2 P14416 4/20 0.47
DRD3 P35462 2/20 0.47
HTR2A P28223 2/20 0.47
KCNH2 Q12809 1/20 0.45
DRD5 P21918 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A7 Q99884 1/20 0.43
CACNA1G O43497 1/20 0.42

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
SCHEMBL6800314 0.96 HTR1A (0.46) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL6793341 0.96 HTR1A (0.46) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL6791421 0.95 HTR1A (0.45) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL6789349 0.85 HTR7 (0.45) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL6792470 0.85 HTR7 (0.45) HTR1AHTR7DRD2DRD3KCNH2
SCHEMBL6791987 0.85 GAA (0.47) HTR1ADRD2DRD3POLBCACNA1G
SCHEMBL6793118 0.84 HTR7 (0.46) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL6792842 0.84 DRD3 (0.46) HTR7DRD2DRD3HTR2AKCNH2
SCHEMBL6789329 0.83 HTR1A (0.44) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL6797449 0.83 HTR2A (0.52) HTR1AHTR7DRD2DRD3HTR2A

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