SCHEMBL4589236

SCHEMBL4589236

O=CCSCC[CH]CCc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TAAR1 Q96RJ0 4/20 0.42
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.38
AOC3 Q16853 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
PNMT P11086 1/20 0.38
IDO1 P14902 2/20 0.37
DAO P14920 2/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4590021 0.89 CHRM2 (0.43) CHRM2CHRM1CHRM3TAAR1ALDH1A1
SCHEMBL67484 0.78 TAAR1 (0.57) CHRM2CHRM1CHRM3TAAR1ALDH1A1
SCHEMBL4558176 0.74 TAAR1 (0.40) TAAR1ALDH1A1AOC3HTR3EHTR3B
SCHEMBL16235640 0.73 DAO (0.35) CHRM2CHRM1CHRM3IDO1DAO
SCHEMBL4529767 0.72 TAAR1 (0.42) CHRM2CHRM1CHRM3TAAR1ALDH1A1
SCHEMBL6011476 0.72 TAAR1 (0.63) CHRM2CHRM1CHRM3TAAR1AOC3
SCHEMBL27427316 0.72 TAAR1 (0.53) CHRM2CHRM1CHRM3TAAR1ALDH1A1
SCHEMBL5539189 0.72 TAAR1 (0.53) CHRM2CHRM1CHRM3TAAR1ALDH1A1
SCHEMBL5541023 0.70 TAAR1 (0.52) CHRM2CHRM1CHRM3TAAR1ALDH1A1
SCHEMBL4460305 0.69 TAAR1 (0.50) CHRM2CHRM1CHRM3TAAR1ALDH1A1

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