SCHEMBL6588563

SCHEMBL6588563

CC1CC(=O)c2cc(C(F)(F)F)ccc2N1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.45
▸ CETP P11597 1/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL6589400 0.84 HTR2C (0.42) GPBAR1HTR2CPTGDR2PDK1PDK2
SCHEMBL4114235 0.84 PTGDR2 (0.52) HTR2CPTGDR2CACNA1GCACNA1HCACNA1I
SCHEMBL31736935 0.84 PTGDR2 (0.52) HTR2CPTGDR2CACNA1GCACNA1HCACNA1I
SCHEMBL6589368 0.83 CETP (0.43) GPBAR1CETPHTR2CPTGDR2PDK1
SCHEMBL6596806 0.80 PDE1C (0.47) HTR2CPTGDR2TSHRCACNA1GCACNA1H
SCHEMBL5776774 0.75 CETP (0.53) CETP
SCHEMBL31193445 0.75 CETP (0.53) CETP
SCHEMBL5773078 0.75 CETP (0.53) CETP
SCHEMBL31193476 0.75 CETP (0.53) CETP
SCHEMBL6587652 0.74 BRD4 (0.47) CETPPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114033-B1 4-CARBOXYAMINO-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PROD INC (US) 2004-09-29 — — EP disclosed
US-6395751-B1 SYNERGISTIC MIXTURE; ANTICHOLESTEROL AGENTS PFIZER INC. 2002-05-28 — — US disclosed
EP-1114033-A1 4-CARBOXYAMINO-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS Pfizer Products Inc. (US) 2001-07-11 — — EP disclosed
US-6147090-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS USED TO TREAT DISEASES WHICH ARE EXACERBATED BY LOW LEVELS OF HDL CHOLESTEROL AND/OR HIGH LEVELS OF LDL-CHOLESTEROL AND TRIGLYCERIDES, SUCH AS ATHEROSCLEROSIS AND CARDIOVASCULAR PFIZER INC. (US) 2000-11-14 — — US disclosed
WO-2000017166-A1 4-CARBOXYAMINO-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 — — WO disclosed
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