SCHEMBL6792386

SCHEMBL6792386

COc1ccc(N2CCN(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc43)CC2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 3/20 0.50
DRD3 P35462 3/20 0.50
ADRA2A P08913 2/20 0.50
DRD1 P21728 2/20 0.50
ADRA1A P35348 2/20 0.50
CHRM2 P08172 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
OPRM1 P35372 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
MTR Q99707 1/20 0.50
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
HTR1A P08908 1/20 0.46
DRD5 P21918 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL6792905 0.91 DRD2 (0.55) MTTPDRD3ADRA2ADRD1ADRA1A
SCHEMBL7720561 0.88 DRD3 (0.47) DRD3ADRA2ADRD1ADRA1ADRD2
SCHEMBL6794442 0.88 DRD3 (0.53) MTTPDRD3ADRA2ADRD1ADRA1A
SCHEMBL6800835 0.86 ADRA1A (0.49) MTTPDRD3ADRA2ADRD1ADRA1A
SCHEMBL7049512 0.86 MTTP (0.49) MTTPDRD3ADRA2ADRD1ADRA1A
SCHEMBL6771176 0.85 MTTP (0.47) MTTPDRD3ADRA2ADRD1ADRA1A
SCHEMBL6793242 0.85 DRD3 (0.55) MTTPDRD3ADRA2ADRD1ADRA1A
SCHEMBL6794172 0.84 MTTP (0.51) MTTPDRD3ADRA2ADRD1ADRA1A
SCHEMBL6793543 0.84 DRD3 (0.51) MTTPDRD3ADRA2ADRD1ADRA1A
SCHEMBL6793761 0.83 DRD3 (0.52) MTTPDRD3ADRA2ADRD1ADRA1A

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