SCHEMBL729539

SCHEMBL729539

O=C(CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)CCc1cccc(F)c1)NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.57

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
SCHEMBL3180175 0.90 ADRB2 (0.46) ADRB2
Trifluoroacetic Acid SCHEMBL2815576 0.90 ADRB2 (0.47) ADRB2
Trifluoroacetic Acid SCHEMBL2814774 0.90 ADRB2 (0.46) ADRB2
SCHEMBL3283078 0.90 ADRB2 (0.48) ADRB2
Trifluoroacetic Acid SCHEMBL2815661 0.86 ADRB2 (0.43) ADRB2
Trifluoroacetic Acid SCHEMBL2817025 0.86 ADRB2 (0.43) ADRB2
Trifluoroacetic Acid SCHEMBL2815474 0.85 ADRB2 (0.45) ADRB2
Trifluoroacetic Acid SCHEMBL2812553 0.84 ADRB2 (0.45) ADRB2
Trifluoroacetic Acid SCHEMBL2813024 0.83 ADRB2 (0.41) ADRB2
SCHEMBL524144 0.82 ADRB2 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524897-A 2011-09-08 JP claimed
EP-2303266-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2011-04-06 EP claimed
WO-2009154562-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2009-12-23 WO claimed