SCHEMBL6791990

SCHEMBL6791990

NC(=O)c1ccc(-c2cccc3c2C(CCCCN2CCN(c4ccc(-c5ccccc5)cc4)CC2)(C(=O)O)c2ccccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.46
FAAH O00519 3/20 0.46
HTR7 P34969 3/20 0.43
HTR1A P08908 6/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 2/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6795181 0.90 DRD3 (0.46) DRD3FAAHHTR7HTR1ADRD2
SCHEMBL6789354 0.89 HTR1A (0.47) DRD3FAAHHTR7HTR1ADRD2
SCHEMBL6792849 0.86 DRD3 (0.41) DRD3FAAHHTR7HTR1ADRD2
SCHEMBL7049218 0.84 NOS3 (0.42) DRD3
SCHEMBL6790993 0.84 DRD3 (0.40) DRD3FAAHHTR7HTR1ADRD2
SCHEMBL6770311 0.84 HTR1A (0.49) DRD3HTR7HTR1ADRD2
SCHEMBL6790535 0.80 HTR1A (0.50) DRD3HTR7HTR1ADRD2HTR2A
SCHEMBL6766699 0.80 PDK2 (0.40)
SCHEMBL6800314 0.78 HTR1A (0.46) DRD3HTR7HTR1ADRD2HTR2A
SCHEMBL6792470 0.78 HTR7 (0.45) DRD3HTR7HTR1ADRD2DRD4

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