SCHEMBL6792842

SCHEMBL6792842

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.46
MTTP P55157 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
MTR Q99707 1/20 0.46
HTR7 P34969 2/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
DRD2 P14416 5/20 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
SCHEMBL6790988 0.92 DRD3 (0.46) DRD3MTTPCHRM2ADRA2AADORA3
SCHEMBL6789349 0.90 HTR7 (0.45) DRD3MTTPCHRM2ADRA2AADORA3
SCHEMBL6797449 0.89 HTR2A (0.52) DRD3MTTPCHRM2ADRA2AADORA3
SCHEMBL6792149 0.88 MTTP (0.59) DRD3MTTPCHRM2ADRA2AADORA3
SCHEMBL6789329 0.87 HTR1A (0.44) DRD3MTTPCHRM2ADRA2AADORA3
SCHEMBL6791987 0.87 GAA (0.47) DRD3DRD2
SCHEMBL7720538 0.87 HTR7 (0.44) DRD3HTR7HTR2AHTR2CHTR2B
SCHEMBL6793683 0.85 MTTP (0.56) DRD3MTTPCHRM2ADRA2AADORA3
SCHEMBL6793118 0.84 HTR7 (0.46) DRD3KCNH2HTR7HTR2AHTR2C
SCHEMBL6792470 0.84 HTR7 (0.45) DRD3KCNH2HTR7DRD2DRD4

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