SCHEMBL6790993

SCHEMBL6790993

NC(=O)CCc1cccc2c1C(CCCCN1CCN(c3ccc(-c4ccccc4)cc3)CC1)(C(=O)O)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.40
FAAH O00519 2/20 0.40
HTR1A P08908 6/20 0.39
HTR7 P34969 6/20 0.39
DRD2 P14416 2/20 0.37
DRD5 P21918 1/20 0.37
KCNH2 Q12809 1/20 0.37
DRD4 P21917 1/20 0.36

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
SCHEMBL6792849 0.91 DRD3 (0.41) DRD3FAAHHTR1AHTR7DRD2
SCHEMBL6789354 0.86 HTR1A (0.47) DRD3FAAHHTR1AHTR7DRD2
SCHEMBL6791990 0.84 DRD3 (0.46) DRD3FAAHHTR1AHTR7DRD2
SCHEMBL7048481 0.83 SIGMAR1 (0.43) HTR1AHTR7
SCHEMBL6777478 0.83 HTR1A (0.49) DRD3HTR1AHTR7DRD2
SCHEMBL6795181 0.80 DRD3 (0.46) DRD3FAAHHTR1AHTR7DRD2
SCHEMBL7049639 0.79 SIGMAR1 (0.43) DRD3HTR7DRD5DRD4
SCHEMBL6772241 0.79 HTR1A (0.42) DRD3HTR1AHTR7DRD2DRD4
SCHEMBL6790535 0.79 HTR1A (0.50) DRD3HTR1AHTR7DRD2DRD5
SCHEMBL6766347 0.77 APEX1 (0.35)

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