SCHEMBL6795176

SCHEMBL6795176

O=C(Nc1cccc(Cl)c1)C1(CCCCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
CACNA1G O43497 5/20 0.47
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 4/20 0.45
DRD4 P21917 2/20 0.45
HTR7 P34969 5/20 0.45
HTR1A P08908 4/20 0.45
TRPV4 Q9HBA0 1/20 0.44
KCNH2 Q12809 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2A P28223 1/20 0.43
HTR6 P50406 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6791987 0.91 GAA (0.47) CACNA1GDRD2HTR1ADRD3
SCHEMBL6792965 0.85 GAA (0.52) CACNA1GMAPTHTR7HTR1AHTR2A
SCHEMBL6789929 0.83 MTTP (0.54) MAPTDRD2DRD4HTR7HTR1A
SCHEMBL6789349 0.82 HTR7 (0.45) DRD2DRD4HTR7HTR1AKCNH2
SCHEMBL6789329 0.82 HTR1A (0.44) DRD2DRD4HTR7HTR1AKCNH2
SCHEMBL6792604 0.81 MTTP (0.53) CACNA1GDRD2DRD4KCNH2ADRA1A
SCHEMBL6792842 0.81 DRD3 (0.46) DRD2DRD4HTR7KCNH2ADRA1A
SCHEMBL6794501 0.81 HTR1A (0.49) MAPTKMT2ADRD2HTR7HTR1A
SCHEMBL6797449 0.80 HTR2A (0.52) DRD2HTR7HTR1AKCNH2ADRA1A
SCHEMBL6790988 0.79 DRD3 (0.46) DRD2DRD4HTR7KCNH2ADRA1A

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