SCHEMBL4589466

SCHEMBL4589466

O=CCCSC[CH]CCc1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
PNMT P11086 1/20 0.39
IDO1 P14902 2/20 0.38
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PTPRC P08575 1/20 0.32
PTPRG P23470 1/20 0.32
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
DRD2 P14416 2/20 0.31
CYP2A13 Q16696 1/20 0.31

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
SCHEMBL4590019 0.88 TAAR1 (0.40) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL4590140 0.82 TAAR1 (0.41) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL97274 0.81 TAAR1 (0.57) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL4558176 0.77 TAAR1 (0.40) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL4590021 0.74 CHRM2 (0.43) TAAR1PNMTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4589469 0.73 TAAR1 (0.41) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL4535289 0.73 PTPRC (0.37) TAAR1PNMTIDO1SMN1; SMN2NPSR1
SCHEMBL10454588 0.70 PNMT (0.47) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL14609134 0.70 TAAR1 (0.47) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL1338205 0.67 TAAR1 (0.54) TAAR1PNMTIDO1SMN1; SMN2

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
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO disclosed