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SCHEMBL9946540

SCHEMBL9946540

COc1cc(F)c(C(C)C)cc1-c1cc2c(cc1CN1C(=O)O[C@H](c3cc(C)cc(C(F)(F)F)c3)C[C@@H]1C)CCC2

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 20/20 0.58
▸ NR1I2 O75469 1/20 0.55

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
SCHEMBL9946535 0.96 CETP (0.60) CETPNR1I2
SCHEMBL14471002 0.85 CETP (0.49) CETPNR1I2
SCHEMBL13970553 0.85 CETP (0.46) CETPNR1I2
SCHEMBL4313907 0.85 CETP (0.76) CETPNR1I2
SCHEMBL9946537 0.84 CETP (0.65) CETPNR1I2
SCHEMBL4556851 0.84 CETP (0.61) CETPNR1I2
SCHEMBL9946516 0.83 CETP (0.56) CETPNR1I2
SCHEMBL9946542 0.82 CETP (0.55) CETPNR1I2
SCHEMBL1506462 0.82 CETP (0.78) CETPNR1I2
SCHEMBL4314403 0.80 CETP (0.50) CETPNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973546-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 — — EP disclosed