SCHEMBL6797449

SCHEMBL6797449

O=C(NCc1ccccc1)C1(CCCCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.52
HTR2C P28335 3/20 0.52
HTR2B P41595 3/20 0.52
DRD2 P14416 8/20 0.51
HTR1A P08908 7/20 0.51
HTR7 P34969 6/20 0.51
HTR6 P50406 4/20 0.45
HTR5A P47898 1/20 0.45
DRD3 P35462 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
MTTP P55157 1/20 0.45

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
SCHEMBL6792842 0.89 DRD3 (0.46) HTR2AHTR2CHTR2BDRD2HTR7
SCHEMBL6790988 0.88 DRD3 (0.46) HTR2AHTR2CHTR2BDRD2HTR7
SCHEMBL6789349 0.87 HTR7 (0.45) HTR2AHTR2CHTR2BDRD2HTR1A
SCHEMBL6792149 0.87 MTTP (0.59) DRD3CHRM2ADRA2AADORA3CHRM1
SCHEMBL6791987 0.86 GAA (0.47) DRD2HTR1ADRD3
SCHEMBL6789329 0.85 HTR1A (0.44) HTR2AHTR2CHTR2BDRD2HTR1A
SCHEMBL6793683 0.84 MTTP (0.56) DRD3CHRM2ADRA2AADORA3CHRM1
SCHEMBL6790535 0.83 HTR1A (0.50) HTR2ADRD2HTR1AHTR7DRD3
SCHEMBL7047321 0.82 SIGMAR1 (0.48) DRD2HTR1AHTR7DRD3CHRM2
SCHEMBL6792965 0.82 GAA (0.52) HTR2AHTR2CHTR1AHTR7

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