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Sugi Predict / Compounds / SCHEMBL6307016

SCHEMBL6307016

SCHEMBL6307016

CCc1cc(Oc2cccc(N(Cc3ccccc3OC(F)(F)F)C(CO)c3ccc(Cl)cc3C(F)(F)F)c2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 14/20 0.48
▸ SLC6A4 P31645 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ POLQ O75417 1/20 0.33
▸ AR P10275 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
SCHEMBL6307733 0.93 CETP (0.49) CETPSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL6304444 0.81 CETP (0.42) CETPSLC6A4SLC6A2SLC6A3
SCHEMBL6304765 0.81 CETP (0.63) CETPSLC6A4HTR2AKCNH2
SCHEMBL6304142 0.80 CETP (0.45) CETPAR
SCHEMBL6305339 0.79 CETP (0.64) CETPSLC6A4HTR2AKCNH2POLQ
SCHEMBL6312347 0.78 CETP (0.58) CETP
SCHEMBL6305342 0.78 CETP (0.63) CETP
SCHEMBL6311205 0.76 CETP (0.63) CETP
SCHEMBL6313501 0.75 CETP (0.62) CETP
SCHEMBL7645562 0.75 CETP (0.62) 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-6861561-B2 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G. D. SEARLE & CO. (US) 2005-03-01 — — US claimed