SCHEMBL6793768

SCHEMBL6793768

O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3cccc(-c4cccc(Cl)c4)c3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 2/20 0.52
KCNH2 Q12809 2/20 0.52
ADRA1A P35348 2/20 0.52
DRD3 P35462 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
OPRM1 P35372 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MTR Q99707 1/20 0.52
DRD2 P14416 3/20 0.49
DRD4 P21917 1/20 0.49
HTR7 P34969 4/20 0.48
HTR2A P28223 2/20 0.48
HTR1A P08908 2/20 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
SCHEMBL6795011 0.96 MTTP (0.54) MTTPKCNH2ADRA1ADRD3CHRM2
SCHEMBL6795182 0.94 MTTP (0.54) MTTPKCNH2ADRA1ADRD3CHRM2
SCHEMBL6789929 0.94 MTTP (0.54) MTTPKCNH2ADRA1ADRD3CHRM2
SCHEMBL6794634 0.94 MTTP (0.50) MTTPKCNH2ADRA1ADRD3CHRM2
SCHEMBL6793194 0.93 MTTP (0.55) MTTPKCNH2ADRA1ADRD3CHRM2
SCHEMBL6791939 0.92 MTTP (0.52) MTTPKCNH2ADRA1ADRD3CHRM2
SCHEMBL6800457 0.91 MTTP (0.53) MTTPKCNH2ADRA1ADRD3CHRM2
SCHEMBL6797603 0.91 MTTP (0.52) MTTPKCNH2ADRA1ADRD3CHRM2
SCHEMBL6790568 0.90 DRD3 (0.58) MTTPKCNH2ADRA1ADRD3CHRM2
SCHEMBL6787421 0.90 MTTP (0.54) MTTPKCNH2ADRA1ADRD3CHRM2

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