SCHEMBL6795245

SCHEMBL6795245

COc1cccc(N2CCN(CCCCC3(C(=O)NCc4ccc(F)cc4)c4ccccc4-c4ccccc43)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.53
DRD3 P35462 9/20 0.53
HTR2A P28223 5/20 0.53
HTR2C P28335 2/20 0.51
HTR7 P34969 5/20 0.43
DRD2 P14416 8/20 0.42
DRD4 P21917 6/20 0.42
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 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
SCHEMBL6794870 0.93 HTR1A (0.54) HTR1ADRD3HTR2AHTR2CHTR7
SCHEMBL6793499 0.90 HTR1A (0.51) HTR1ADRD3HTR2AHTR2CHTR7
SCHEMBL7723400 0.89 HTR1A (0.52) HTR1ADRD3HTR2AHTR2CHTR7
SCHEMBL7118283 0.87 DRD3 (0.55) HTR1ADRD3HTR2AHTR2CADRA1A
SCHEMBL6793958 0.87 CHRM4 (0.40) HTR1ADRD3HTR2AHTR2C
SCHEMBL6766415 0.85 HTR1A (0.51) HTR1ADRD3HTR2AHTR2CHTR7
SCHEMBL6773329 0.83 HTR3A (0.41) HTR1ADRD3HTR2AHTR2CHTR7
SCHEMBL6771603 0.82 HTR1A (0.45) HTR1ADRD3HTR2AHTR2CHTR7
SCHEMBL6770133 0.82 HTR1A (0.49) HTR1ADRD3HTR2AHTR2CHTR7
SCHEMBL7723383 0.82 HTR1A (0.53) HTR1ADRD3HTR2AHTR2CHTR7

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