SCHEMBL6858377

SCHEMBL6858377

OC(CNC1(Cc2cccc(C(F)(F)F)c2)CCCC(C(F)(F)F)C1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.41
EPHX1 P07099 3/20 0.35
SMYD3 Q9H7B4 1/20 0.34
GRIN2B Q13224 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DPP7 Q9UHL4 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5669307 0.92 CETP (0.35) CETP
SCHEMBL5669973 0.86 SMYD3 (0.36) CETPEPHX1SMYD3KMT2AHTT
SCHEMBL5670850 0.79 CETP (0.33) CETPSMYD3
SCHEMBL5669750 0.78 CETP (0.32) CETP
SCHEMBL5669268 0.76 CETP (0.40) CETP
SCHEMBL6567535 0.73 HTT (0.37) CETPHTTALDH1A1GAA
SCHEMBL5669311 0.73 CETP (0.41) CETPEPHX1
SCHEMBL5669779 0.72 CETP (0.42) CETPEPHX1
SCHEMBL7790102 0.72 CETP (0.49) CETP
SCHEMBL6276333 0.72 CETP (0.48) CETP

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
US-6787570-B2 ADMINISTERING AN AROMATIC OR HETEROAROMATIC SUBSTITUTED TERTIARYAMINE COMPOUND TO TREAT ATHEROSCLEROSIS, DYSLIPIDEMIA, AND OTHER CORONARY ARTERY DISEASES PFIZER, INC. 2004-09-07 US claimed