SCHEMBL6791987

SCHEMBL6791987

O=C(Nc1ccccc1)C1(CCCCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CACNA1G O43497 2/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
HTR3A P46098 1/20 0.43
DRD3 P35462 1/20 0.43
REV1 Q9UBZ9 1/20 0.43

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
SCHEMBL6792965 0.93 GAA (0.52) GAACACNA1GHTR1ALMNAREV1
SCHEMBL6795176 0.91 PKM (0.52) CACNA1GHTR1ADRD2DRD3
SCHEMBL6789349 0.89 HTR7 (0.45) HTR1ADRD2DRD3
SCHEMBL6792842 0.87 DRD3 (0.46) DRD2DRD3
SCHEMBL6794501 0.87 HTR1A (0.49) GAAHTR1ADRD2ALDH1A1LMNA
SCHEMBL6797449 0.86 HTR2A (0.52) HTR1ADRD2DRD3
SCHEMBL6789329 0.86 HTR1A (0.44) HTR1ADRD2DRD3
SCHEMBL6790988 0.85 DRD3 (0.46) DRD2DRD3
SCHEMBL6792149 0.85 MTTP (0.59) DRD3
SCHEMBL6790535 0.85 HTR1A (0.50) CACNA1GHTR1ADRD2POLBDRD3

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