SCHEMBL4434958

SCHEMBL4434958

Cc1ccc(CCNCCC(=O)NCCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.67
ABCB11 O95342 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
SCHEMBL2211009 0.90 ADRB2 (0.67) ADRB2ABCB11
SCHEMBL2211014 0.89 ADRB2 (0.65) ADRB2ABCB11
SCHEMBL4443114 0.85 ADRB2 (0.68) ADRB2ABCB11
SCHEMBL1683036 0.84 ADRB2 (0.71) ADRB2ABCB11
SCHEMBL1827610 0.83 ADRB2 (0.66) ADRB2ABCB11
SCHEMBL2209331 0.82 ADRB2 (0.54) ADRB2ABCB11
SCHEMBL1827166 0.81 ADRB2 (0.63) ADRB2ABCB11
Bromide SCHEMBL1825951 0.81 ADRB2 (0.62) ADRB2ABCB11
SCHEMBL2208928 0.81 ADRB2 (0.59) ADRB2
SCHEMBL2209077 0.80 ADRB2 (0.54) ADRB2

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