SCHEMBL4563123

SCHEMBL4563123

CC(C)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCNC(C)(C)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.73
ADRB1 P08588 2/20 0.53
ABCB11 O95342 2/20 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
SCHEMBL2213188 0.89 ADRB2 (0.83) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL4555710 0.88 ADRB2 (0.62) ADRB2ADRB1
SCHEMBL2211485 0.86 ADRB2 (0.56) ADRB2ADRB1ABCB11
SCHEMBL2211426 0.85 ADRB2 (0.56) ADRB2ADRB1ABCB11
SCHEMBL2212338 0.85 ADRB2 (0.71) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL2213961 0.84 ADRB2 (0.54) ADRB2ADRB1ABCB11
SCHEMBL2817484 0.83 ADRB2 (0.62) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL12510866 0.81 ADRB2 (0.70) ADRB2
SCHEMBL2211547 0.80 ADRB2 (0.71) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL2214994 0.80 ADRB2 (0.68) ADRB2ADRB1ABCB11DRD2PDE4A

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