SCHEMBL6594641

SCHEMBL6594641

CCOC(=O)N1c2cc(OC)c(OC)cc2[C@H](N(Cc2ccccc2)C(=O)OCc2ccccc2)C[C@@H]1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.49
CETP P11597 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PDE1C Q14123 1/20 0.39
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HCRTR2 O43614 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PRNP P04156 1/20 0.37
ABCB1 P08183 1/20 0.37
KDM4E B2RXH2 1/20 0.37
APP P05067 1/20 0.36
HTR2C P28335 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
SCHEMBL6594651 1.00 PTGDR2 (0.49) PTGDR2CETPNPSR1PDE1CHTR2A
SCHEMBL6594646 1.00 PTGDR2 (0.49) PTGDR2CETPNPSR1PDE1CHTR2A
SCHEMBL6592187 0.97 PTGDR2 (0.50) PTGDR2CETPNPSR1PDE1CALDH1A1
SCHEMBL6592181 0.97 PTGDR2 (0.50) PTGDR2CETPNPSR1PDE1CALDH1A1
SCHEMBL6592191 0.97 PTGDR2 (0.50) PTGDR2CETPNPSR1PDE1CALDH1A1
SCHEMBL6588898 0.93 CETP (0.49) PTGDR2CETPNPSR1ALDH1A1LMNA
SCHEMBL6588905 0.93 CETP (0.49) PTGDR2CETPNPSR1ALDH1A1LMNA
SCHEMBL6588903 0.93 CETP (0.49) PTGDR2CETPNPSR1ALDH1A1LMNA
SCHEMBL6596028 0.92 PTGDR2 (0.45) PTGDR2CETPNPSR1ALDH1A1LMNA
SCHEMBL6596027 0.92 PTGDR2 (0.45) PTGDR2CETPNPSR1ALDH1A1LMNA

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