SCHEMBL7679565

SCHEMBL7679565

CNCc1cc(-c2cccc(NC(=O)CN(C)Cc3cc(-c4cccs4)ccc3Oc3ccc(Cl)c(Cl)c3)c2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.45
HTR2A P28223 13/20 0.45
KCNH2 Q12809 12/20 0.45
HRH3 Q9Y5N1 4/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KLK7 P49862 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
SCHEMBL6151828 0.82 HTR2A (0.62) SLC6A4HTR2AKCNH2
SCHEMBL6151890 0.79 SLC6A4 (0.58) SLC6A4HTR2AKCNH2HRH3SLC6A2
SCHEMBL6151509 0.74 HTR2A (0.62) SLC6A4HTR2AKCNH2
SCHEMBL6151609 0.71 HTR2A (0.71) SLC6A4HTR2AKCNH2
SCHEMBL6152246 0.68 HTR2A (0.64) SLC6A4HTR2AKCNH2
SCHEMBL6151710 0.67 HTR2A (0.67) SLC6A4HTR2AKCNH2
SCHEMBL6151513 0.67 HTR2A (0.70) SLC6A4HTR2AKCNH2
SCHEMBL6151381 0.67 HTR2A (0.62) SLC6A4HTR2AKCNH2
SCHEMBL6152336 0.66 HTR2A (0.81) SLC6A4HTR2AKCNH2
SCHEMBL6152309 0.66 HTR2A (0.61) SLC6A4HTR2AKCNH2

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-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US claimed