SCHEMBL4566149

SCHEMBL4566149

O=C(CCN(CCc1ccccc1)C1Cc2ccccc2C1)NCCNCCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.65
ABCB11 O95342 2/20 0.50
ADRB1 P08588 1/20 0.48
DRD2 P14416 1/20 0.48
PDE4A P27815 1/20 0.48

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
SCHEMBL2213106 0.88 ADRB2 (0.54) ADRB2
SCHEMBL2212564 0.86 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL2213191 0.82 ADRB2 (0.69) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL2211456 0.82 ADRB2 (0.61) ADRB2
SCHEMBL2209331 0.82 ADRB2 (0.54) ADRB2ABCB11
SCHEMBL2212095 0.81 ADRB2 (0.53) ADRB2
SCHEMBL2213120 0.80 ADRB2 (0.53) ADRB2
SCHEMBL2211462 0.79 ADRB2 (0.45) ADRB2ABCB11ADRB1DRD2PDE4A
Trifluoroacetic Acid SCHEMBL2213831 0.79 ADRB2 (0.51) ADRB2
Trifluoroacetic Acid SCHEMBL2206725 0.79 ADRB2 (0.64) 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