SCHEMBL6857794

SCHEMBL6857794

OC(CN(Cc1ccc(OC(F)(F)F)cc1)C1CC1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.54
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
TSHR P16473 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL6858407 0.85 CETP (0.70) CETP
SCHEMBL6855335 0.81 CETP (0.67) CETP
SCHEMBL993642 0.81 CETP (0.63) CETP
SCHEMBL6857797 0.78 SLC6A2 (0.64) CETPSLC6A2SLC6A4SLC6A3
SCHEMBL5995736 0.76 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3
SCHEMBL3397214 0.76 PYCR1 (0.41) SLC6A2SLC6A4TSHR
SCHEMBL993968 0.74 CETP (0.57) CETP
SCHEMBL992980 0.73 CETP (0.56) CETP
SCHEMBL6855337 0.73 SLC6A2 (0.61) CETPSLC6A2SLC6A4SLC6A3
SCHEMBL995559 0.73 CETP (0.59) 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