SCHEMBL6593405

SCHEMBL6593405

CCOC(=O)N1c2cc(OC)c(OC)cc2[C@@H](N(Cc2cc(F)cc(F)c2)C(=O)OC)C[C@H]1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
PDE10A Q9Y233 1/20 0.31
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6593410 1.00 CETP (0.51) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6593402 1.00 CETP (0.51) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6590638 0.93 CETP (0.60) CETP
SCHEMBL6590637 0.93 CETP (0.60) CETP
SCHEMBL6590632 0.93 CETP (0.60) CETP
SCHEMBL6596005 0.91 CETP (0.50) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6596011 0.91 CETP (0.50) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6596007 0.91 CETP (0.50) CETPPTGDR2NPSR1CA12CA1
SCHEMBL992955 0.89 CETP (0.49) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6594430 0.89 CETP (0.49) CETPPTGDR2NPSR1CA12CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987251-B1 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors PFIZER PROD INC (US) 2004-05-19 EP disclosed
US-6362198-B1 ANTICHOLESTEROL, ANTILIPEMIC AGENT PFIZER INC. 2002-03-26 US disclosed
US-6140342-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR; USED TO ELEVATE CERTAIN PLASMA LIPID LEVELS, INCLUDING HIGH DENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER CERTAIN OTHER PLASMA LIPID LEVELS, SUCH AS LDL-CHOLESTEROL AND TRIGLYCERIDES PFIZER INC. (US) 2000-10-31 US disclosed
EP-0987251-A1 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors Pfizer Products Inc. (US) 2000-03-22 EP disclosed