SCHEMBL4440137

SCHEMBL4440137

O=C(O)NCCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.56
ABCB11 O95342 2/20 0.50
ADRB1 P08588 1/20 0.50
DRD2 P14416 1/20 0.50
PDE4A P27815 1/20 0.50

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
SCHEMBL14077127 0.83 ADRB2 (0.56) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL27717348 0.81 ADRB2 (0.59) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL8879323 0.81 ADRB2 (0.61) ADRB2ABCB11ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL27738410 0.81 ADRB2 (0.58) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL4739379 0.80 ADRB2 (0.53) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL3685868 0.79 ADRB2 (0.49) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL1683034 0.79 ADRB2 (0.59) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL14291843 0.79 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL7840281 0.79 ADRB2 (0.47) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL4740762 0.79 ADRB2 (0.52) ADRB2ABCB11ADRB1DRD2PDE4A

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-2121642-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed