SCHEMBL6273236

SCHEMBL6273236

Cc1cccc(Oc2cccc(C(NC[C@@H](O)C(F)(F)F)c3ccc(C(F)(F)F)cc3F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.40
PDE2A O00408 3/20 0.40
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
AR P10275 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
SCHEMBL6430199 1.00 CETP (0.40) CETPPDE2AADRB2ADRB1SMN1; SMN2
SCHEMBL1904229 0.95 CETP (0.41) CETPPDE2ALMNA
SCHEMBL5669194 0.95 CETP (0.41) CETPPDE2ALMNA
SCHEMBL6274625 0.93 CETP (0.41) CETPPDE2A
SCHEMBL994517 0.93 CETP (0.41) CETPPDE2A
SCHEMBL6435008 0.92 CETP (0.40) CETPADRB2ADRB1SMN1; SMN2LMNA
SCHEMBL6064713 0.92 CETP (0.40) CETPADRB2ADRB1SMN1; SMN2LMNA
SCHEMBL5669024 0.91 PDE2A (0.42) CETPPDE2ASMN1; SMN2LMNA
SCHEMBL1899039 0.91 PDE2A (0.42) CETPPDE2ASMN1; SMN2LMNA
SCHEMBL5668949 0.91 CETP (0.40) CETPPDE2A

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
WO-2005117869-A1 COMBINATIONS COMPRISING (S)-AMLODIPINE AND A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR, AND METHODS FOR REDUCING HYPERTENSION SEPRACOR INC. (US) 2005-12-15 WO disclosed
EP-1578448-A1 COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND HMG-COA REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004056395-A1 COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND HMG-COA REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed