SCHEMBL6799205

SCHEMBL6799205

O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3ccccn3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.55
MTTP P55157 2/20 0.55
DRD1 P21728 2/20 0.55
CHRM2 P08172 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
TBXA2R P21731 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
MTR Q99707 1/20 0.55
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL6787550 0.91 MTTP (0.52) DRD3MTTPDRD1CHRM2ADRA2A
SCHEMBL6787428 0.88 MTTP (0.52) DRD3MTTPDRD1CHRM2ADRA2A
SCHEMBL6788085 0.88 MTTP (0.60) DRD3MTTPDRD1CHRM2ADRA2A
SCHEMBL6770084 0.87 MTTP (0.50) DRD3MTTPDRD1CHRM2ADRA2A
SCHEMBL5864394 0.87 MTTP (0.51) DRD3MTTPDRD1CHRM2ADRA2A
SCHEMBL6793521 0.87 MTTP (0.55) DRD3MTTPDRD1CHRM2ADRA2A
SCHEMBL6792370 0.87 DRD3 (0.53) DRD3MTTPDRD1CHRM2ADRA2A
SCHEMBL6787222 0.86 MTTP (0.56) DRD3MTTPDRD1CHRM2ADRA2A
SCHEMBL6772696 0.86 MTTP (0.52) DRD3MTTPDRD1CHRM2ADRA2A
SCHEMBL6791508 0.86 MTTP (0.58) DRD3MTTPDRD1CHRM2ADRA2A

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