SCHEMBL6793958

SCHEMBL6793958

COc1cccc(N2CC(C)N(CCCCC3(C(=O)NCc4ccc(F)cc4)c4ccccc4-c4ccccc43)C(C)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.40
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
DRD3 P35462 2/20 0.39
HTR2C P28335 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
POLB P06746 1/20 0.35
KIT P10721 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6800641 0.88 MTTP (0.46) DRD3
SCHEMBL6795245 0.87 HTR1A (0.53) HTR1AHTR2ADRD3HTR2C
SCHEMBL6771750 0.86 HTR1A (0.42) HTR1ADRD3HCRTR1HCRTR2POLB
SCHEMBL6767421 0.84 MAPT (0.37) HTR1APOLBKITALDH1A1MAPT
SCHEMBL6766832 0.82 PKM (0.44) ALDH1A1MAPT
SCHEMBL6772435 0.82 PDE10A (0.46) HTR1AALDH1A1MAPT
SCHEMBL6769386 0.80 POLB (0.36) POLBKIT
SCHEMBL6768217 0.80 ALDH1A1 (0.41) HCRTR1HCRTR2POLBALDH1A1
SCHEMBL6767091 0.80 MTTP (0.40) HCRTR1HCRTR2ALDH1A1MAPT
SCHEMBL6770210 0.80 PDE10A (0.36) HTR1AALDH1A1MAPTNPSR1

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