SCHEMBL6789354

SCHEMBL6789354

NC(=O)c1cccc2c1C(CCCCN1CCN(c3ccc(-c4ccccc4)cc3)CC1)(C(=O)O)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.47
DRD3 P35462 4/20 0.43
FAAH O00519 2/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
HTR7 P34969 5/20 0.43
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40

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
SCHEMBL6791990 0.89 DRD3 (0.46) HTR1ADRD3FAAHHTR7DRD2
SCHEMBL6792849 0.87 DRD3 (0.41) HTR1ADRD3FAAHHTR7DRD2
SCHEMBL6790993 0.86 DRD3 (0.40) HTR1ADRD3FAAHHTR7DRD2
SCHEMBL6795181 0.85 DRD3 (0.46) HTR1ADRD3FAAHHTR7DRD2
SCHEMBL7051788 0.81 SIGMAR1 (0.43)
SCHEMBL6790535 0.81 HTR1A (0.50) HTR1ADRD3HTR7DRD2
SCHEMBL6792470 0.80 HTR7 (0.45) HTR1ADRD3HTR7DRD2DRD4
SCHEMBL6793341 0.80 HTR1A (0.46) HTR1ADRD3HTR7DRD2DRD4
SCHEMBL6800314 0.80 HTR1A (0.46) HTR1ADRD3HTR7DRD2
SCHEMBL6789349 0.80 HTR7 (0.45) HTR1ADRD3HTR7DRD2DRD4

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