SCHEMBL9946545

SCHEMBL9946545

Cc1ccc(C(C)(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 18/20 0.49
NR1I2 O75469 3/20 0.48
KCNH2 Q12809 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44

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
SCHEMBL4307420 0.89 CETP (0.62) CETPNR1I2KCNH2
SCHEMBL9946555 0.86 CETP (0.56) CETPNR1I2KCNH2PTGDR2
SCHEMBL9946534 0.84 CETP (0.62) CETPNR1I2
SCHEMBL4317579 0.81 CETP (0.59) CETPNR1I2KCNH2PTGDR2
SCHEMBL4307436 0.81 CETP (0.45) CETPNR1I2KCNH2PTGDR2
SCHEMBL4314403 0.79 CETP (0.50) CETPNR1I2KCNH2
SCHEMBL4313907 0.77 CETP (0.76) CETPNR1I2
SCHEMBL13970553 0.76 CETP (0.46) CETPNR1I2KCNH2
SCHEMBL4310656 0.76 CETP (0.78) CETPKCNH2
SCHEMBL13950193 0.76 CETP (0.69) CETPNR1I2KCNH2

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