SCHEMBL6588534

SCHEMBL6588534

CCOC(=O)N1c2cc(OC)c(OC)cc2[C@H](N(Cc2ccccc2)C(=O)Cc2cccc(Cl)c2)C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CETP P11597 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ABCB1 P08183 1/20 0.36
CCR5 P51681 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CTSD P07339 1/20 0.34

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
SCHEMBL6588537 1.00 PTGDR2 (0.41) PTGDR2ALDH1A1KDM4ECETPNPSR1
SCHEMBL6588540 1.00 PTGDR2 (0.41) PTGDR2ALDH1A1KDM4ECETPNPSR1
SCHEMBL6586465 0.93 PTGDR2 (0.44) PTGDR2ALDH1A1KDM4ECETPNPSR1
SCHEMBL6586471 0.93 PTGDR2 (0.44) PTGDR2ALDH1A1KDM4ECETPNPSR1
SCHEMBL6586468 0.93 PTGDR2 (0.44) PTGDR2ALDH1A1KDM4ECETPNPSR1
SCHEMBL6588154 0.90 PTGDR2 (0.41) PTGDR2ALDH1A1KDM4ECETPNPSR1
SCHEMBL6588142 0.90 PTGDR2 (0.41) PTGDR2ALDH1A1KDM4ECETPNPSR1
SCHEMBL6588150 0.90 PTGDR2 (0.41) PTGDR2ALDH1A1KDM4ECETPNPSR1
SCHEMBL6588244 0.89 PTGDR2 (0.41) PTGDR2ALDH1A1KDM4ECETPNPSR1
SCHEMBL6588248 0.89 PTGDR2 (0.41) PTGDR2ALDH1A1KDM4ECETPNPSR1

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