SCHEMBL4584887

SCHEMBL4584887

OCCCc1sccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
LTB4R Q15722 5/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 0.31
AGTR1 P30556 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
TKT P29401 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
SCHEMBL22607843 0.87
SCHEMBL21158801 0.79 CASP3 (0.38) SLC6A3MAPTALDH1A1HTTKMT2A
SCHEMBL4087110 0.78
SCHEMBL3028441 0.78 MAOA (0.38) SLC6A3LTB4R
SCHEMBL2096667 0.78 SLC6A3 (0.36) SLC6A3LTB4R
SCHEMBL31094648 0.76 LTB4R (0.35) SLC6A3LTB4R
SCHEMBL19304385 0.76 HTR2A (0.41) SLC6A3LTB4RMAPTALDH1A1KMT2A
SCHEMBL5481203 0.75 ALDH1A1 (0.49) ALDH1A1KMT2ATKT
SCHEMBL20764816 0.75 CA2 (0.34) LTB4RALDH1A1TKT
SCHEMBL22613688 0.74

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-2008081476-A2 PROCESS FOR PREPARING DULOXETINE HYDROCHLORIDE CADILA HEALTHCARE LIMITED (IN) 2008-07-10 WO claimed
WO-2008081476-A2 PROCESS FOR PREPARING DULOXETINE HYDROCHLORIDE CADILA HEALTHCARE LIMITED (IN) 2008-07-10 WO disclosed