SCHEMBL4590140

SCHEMBL4590140

OCCCSC[CH]CCc1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
PNMT P11086 1/20 0.38
IDO1 P14902 2/20 0.37
TLR8 Q9NR97 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
GLA P06280 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
PTPRC P08575 1/20 0.31
PTPRG P23470 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4589466 0.82 TAAR1 (0.42) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL4517657 0.75 ADRB2 (0.48) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL79190 0.75 TAAR1 (0.59) TAAR1PNMTIDO1TLR8CYP1A2
SCHEMBL29924786 0.71 TAAR1 (0.63) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL2963562 0.71 TAAR1 (0.63) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL4590143 0.70 TAAR1 (0.42) TAAR1PNMTIDO1TLR8CYP1A2
SCHEMBL4519480 0.70 PTPRC (0.38) TAAR1PNMTPTPRCPTPRGTSHR
SCHEMBL4590019 0.70 TAAR1 (0.40) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL4589981 0.68 TAAR1 (0.41) TAAR1PNMTIDO1CYP1A2CYP3A4
SCHEMBL97274 0.67 TAAR1 (0.57) TAAR1PNMTIDO1CYP1A2CYP3A4

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