SCHEMBL6587069

SCHEMBL6587069

CCOC(=O)N1c2cc(OC)c(OC)cc2[C@@H](N(Cc2ccccc2)C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.48
KMT2A Q03164 1/20 0.42
PTGDR2 Q9Y5Y4 7/20 0.42
KCNH2 Q12809 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR2A P28223 1/20 0.38
HCRTR2 O43614 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36

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
SCHEMBL6587075 1.00 CETP (0.48) CETPKMT2APTGDR2KCNH2MTNR1B
SCHEMBL6587063 1.00 CETP (0.48) CETPKMT2APTGDR2KCNH2MTNR1B
SCHEMBL6592128 0.94 CETP (0.51) CETPPTGDR2
SCHEMBL6592123 0.94 CETP (0.51) CETPPTGDR2
SCHEMBL6588174 0.93 CETP (0.49) CETPPTGDR2UBE2MDCUN1D1
SCHEMBL6588183 0.93 CETP (0.49) CETPPTGDR2UBE2MDCUN1D1
SCHEMBL6588180 0.93 CETP (0.49) CETPPTGDR2UBE2MDCUN1D1
SCHEMBL6586465 0.90 PTGDR2 (0.44) CETPKMT2APTGDR2HCRTR2NPSR1
SCHEMBL6586471 0.90 PTGDR2 (0.44) CETPKMT2APTGDR2HCRTR2NPSR1
SCHEMBL6586468 0.90 PTGDR2 (0.44) CETPKMT2APTGDR2HCRTR2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114032-B1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PROD INC (US) 2004-06-02 EP disclosed
US-6489478-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INHIBITORS AND THE USE OF SUCH INHIBITORS TO ELEVATE CERTAIN PLASMA LIPID LEVELS, INCLUDING HIGH DENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER CERTAIN PFIZER INC. 2002-12-03 US disclosed
US-6140343-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS WHICH ARE USED TO ELEVATE HIGHDENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER LOW DENSITY LIPOPROTEIN-CHOLESTEROL AND TRIGLYCERIDES; FOR TREATING ATHEROSCLEROSIS, PERIPHERAL VASCULAR DISEASE, OBESITY PFIZER (US) 2000-10-31 US disclosed