SCHEMBL6586468

SCHEMBL6586468

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.44
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 3/20 0.38
CETP P11597 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
ABCB1 P08183 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL6586465 1.00 PTGDR2 (0.44) PTGDR2OPRM1OPRK1NPSR1ALDH1A1
SCHEMBL6586471 1.00 PTGDR2 (0.44) PTGDR2OPRM1OPRK1NPSR1ALDH1A1
SCHEMBL6588540 0.93 PTGDR2 (0.41) PTGDR2NPSR1ALDH1A1KDM4ELMNA
SCHEMBL6588537 0.93 PTGDR2 (0.41) PTGDR2NPSR1ALDH1A1KDM4ELMNA
SCHEMBL6588534 0.93 PTGDR2 (0.41) PTGDR2NPSR1ALDH1A1KDM4ELMNA
SCHEMBL6588248 0.90 PTGDR2 (0.41) PTGDR2NPSR1ALDH1A1KDM4ELMNA
SCHEMBL6588250 0.90 PTGDR2 (0.41) PTGDR2NPSR1ALDH1A1KDM4ELMNA
SCHEMBL6588244 0.90 PTGDR2 (0.41) PTGDR2NPSR1ALDH1A1KDM4ELMNA
SCHEMBL6587075 0.90 CETP (0.48) PTGDR2NPSR1CETPKMT2AHCRTR2
SCHEMBL6587063 0.90 CETP (0.48) PTGDR2NPSR1CETPKMT2AHCRTR2

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