SCHEMBL6794488

SCHEMBL6794488

O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 3/20 0.53
DRD1 P21728 2/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
TBXA2R P21731 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
MTR Q99707 1/20 0.53
HTR7 P34969 2/20 0.49
DRD2 P14416 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR6 P50406 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
SCHEMBL6788587 0.92 MTTP (0.53) MTTPDRD1CHRM2ADRA2AADORA3
SCHEMBL5863477 0.92 MTTP (0.52) MTTPDRD1CHRM2ADRA2AADORA3
SCHEMBL6795011 0.90 MTTP (0.54) MTTPDRD1CHRM2ADRA2AADORA3
SCHEMBL6792357 0.90 MTTP (0.55) MTTPDRD1CHRM2ADRA2AADORA3
SCHEMBL6786911 0.89 MTTP (0.58) MTTPDRD1CHRM2ADRA2AADORA3
SCHEMBL6791939 0.88 MTTP (0.52) MTTPDRD1CHRM2ADRA2AADORA3
SCHEMBL6791508 0.88 MTTP (0.58) MTTPDRD1CHRM2ADRA2AADORA3
SCHEMBL6792023 0.88 MTTP (0.57) MTTPDRD1CHRM2ADRA2AADORA3
SCHEMBL5863784 0.87 MTTP (0.49) MTTPDRD1CHRM2ADRA2AADORA3
SCHEMBL6798839 0.87 MTTP (0.56) MTTPDRD1CHRM2ADRA2AADORA3

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