SCHEMBL13476016

SCHEMBL13476016

CNC(CN)OB(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.34
HTR2A P28223 3/20 0.33
KCNH2 Q12809 3/20 0.33
SLC6A3 Q01959 2/20 0.32
RAPGEF4 Q8WZA2 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
SCHEMBL12271041 0.81 SLC6A3 (0.33) SLC6A4HTR2ASLC6A3
SCHEMBL16151504 0.81 SLC6A3 (0.35) SLC6A4SLC6A3
SCHEMBL2406878 0.76 HTR2A (0.33) SLC6A4HTR2ARAPGEF4
SCHEMBL2406879 0.71 KDM4E (0.50) SLC6A4SLC6A3
SCHEMBL2411602 0.71 SLC6A2 (0.32) SLC6A4SLC6A3
SCHEMBL12270807 0.69 SLC6A4 (0.32) SLC6A4HTR2AKCNH2SLC6A3RAPGEF4
SCHEMBL13476022 0.67 KDM4E (0.49) SLC6A4HTR2AKCNH2SLC6A3
SCHEMBL12271042 0.66 HTR2A (0.32) HTR2A
SCHEMBL2407036 0.66 SLC6A4 (0.33) SLC6A4HTR2AKCNH2SLC6A3
SCHEMBL12273708 0.65 PPARG (0.34) SLC6A4KCNH2SLC6A3

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
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed