SCHEMBL6792965

SCHEMBL6792965

O=C(Nc1ccc(F)cc1)C1(CCCCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CACNA1G O43497 2/20 0.51
REV1 Q9UBZ9 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
HTR7 P34969 1/20 0.47
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL6791987 0.93 GAA (0.47) GAALMNACACNA1GREV1HTR1A
SCHEMBL7720501 0.85 GAA (0.47) GAALMNARXFP1CACNA1GREV1
SCHEMBL6795176 0.85 PKM (0.52) CACNA1GMAPTHTR7SMN1; SMN2HTR1A
SCHEMBL6789349 0.85 HTR7 (0.45) HTR7HTR1AHTR2AHTR2C
SCHEMBL6788271 0.85 MTTP (0.58) HTR7
SCHEMBL6792842 0.83 DRD3 (0.46) HTR7HTR2AHTR2C
SCHEMBL6794501 0.83 HTR1A (0.49) GAALMNAMAPTHTR7SMN1; SMN2
SCHEMBL6792149 0.83 MTTP (0.59)
SCHEMBL6797449 0.82 HTR2A (0.52) HTR7HTR1AHTR2AHTR2C
SCHEMBL6789329 0.82 HTR1A (0.44) HTR7HTR1AHTR2AHTR2C

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