SCHEMBL5134797

SCHEMBL5134797

CCCN(CC1CC1)c1ccc(CF)cc1CN(Cc1cc(C#N)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.40
AR P10275 1/20 0.37
LTC4S Q16873 1/20 0.32
S1PR1 P21453 6/20 0.32
PLK1 P53350 1/20 0.32
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
ENPP2 Q13822 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1L1 Q9UHC9 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1B Q00975 1/20 0.30

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
SCHEMBL1588214 0.94 CETP (0.41) CETPARLTC4SS1PR1PLK1
SCHEMBL1587422 0.87 AR (0.37) CETPARLTC4SS1PR1PLK1
SCHEMBL1588409 0.87 CETP (0.46) CETPARLTC4SS1PR1PPARG
SCHEMBL1588099 0.86 CETP (0.45) CETPARLTC4SS1PR1PPARG
SCHEMBL1588361 0.81 AR (0.41) CETPARLTC4SPLK1MRGPRX4
SCHEMBL1588098 0.81 CETP (0.40) CETPARLTC4SPPARDPPARA
SCHEMBL12051454 0.80 AR (0.42) CETPARPLK1
SCHEMBL12775280 0.80 AR (0.42) CETPARLTC4SPLK1
SCHEMBL1587729 0.80 AR (0.41) CETPARLTC4SPLK1
SCHEMBL1587798 0.79 CETP (0.39) CETPARLTC4SS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed