SCHEMBL4573597

SCHEMBL4573597

CCC(Oc1cccc2ccccc12)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.71
SLC6A4 P31645 8/20 0.71
SLC6A3 Q01959 7/20 0.71
HTR1A P08908 2/20 0.70
MLNR O43193 1/20 0.70
CACNA1F O60840 1/20 0.70
CYP1A2 P05177 1/20 0.70
ADRB1 P08588 1/20 0.70
CYP3A4 P08684 1/20 0.70
GAA P10253 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
DRD2 P14416 1/20 0.70
KCNE1 P15382 1/20 0.70
ADRA2B P18089 1/20 0.70
ADRA2C P18825 1/20 0.70
HTR2A P28223 1/20 0.70
HTR2C P28335 1/20 0.70
MC4R P32245 1/20 0.70
CYP2C19 P33261 1/20 0.70

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
SCHEMBL4573568 1.00 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Methylamine SCHEMBL27678263 0.97 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Dimethylamine SCHEMBL2107318 0.96 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Methylamine SCHEMBL19379630 0.96 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Methylhydrazine SCHEMBL27734680 0.94 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL12212180 0.89 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3HTR1AMLNR
N-Benzylmethylamine SCHEMBL27970819 0.88 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL2738887 0.85 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL13689324 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL27847200 0.84 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3HTR1AMLNR

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