SCHEMBL6794501

SCHEMBL6794501

O=C(Nc1ccccn1)C1(CCCCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.49
DRD2 P14416 4/20 0.49
DRD3 P35462 3/20 0.46
HTR2A P28223 2/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 2/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
APP P05067 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
OPRM1 P35372 2/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 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
SCHEMBL6791987 0.87 GAA (0.47) HTR1ADRD2DRD3ALDH1A1LMNA
SCHEMBL6789349 0.84 HTR7 (0.45) HTR1ADRD2DRD3HTR2AKCNH2
SCHEMBL6792965 0.83 GAA (0.52) HTR1AHTR2ALMNAMAPTSMN1; SMN2
SCHEMBL6792842 0.82 DRD3 (0.46) DRD2DRD3HTR2AKCNH2SLC6A2
SCHEMBL6789329 0.81 HTR1A (0.44) HTR1ADRD2DRD3HTR2AKCNH2
SCHEMBL6797449 0.81 HTR2A (0.52) HTR1ADRD2DRD3HTR2AKCNH2
SCHEMBL6790988 0.81 DRD3 (0.46) DRD2DRD3HTR2AKCNH2SLC6A2
SCHEMBL6795176 0.81 PKM (0.52) HTR1ADRD2DRD3HTR2AMAPT
SCHEMBL6792149 0.80 MTTP (0.59) DRD3KCNH2SLC6A2SLC6A3OPRM1
SCHEMBL6790535 0.80 HTR1A (0.50) HTR1ADRD2DRD3HTR2AKCNH2

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