SCHEMBL6528628

SCHEMBL6528628

CC(C)(Cc1cccc(CC(=O)N2CCC[C@@H](O)C2)c1)NCC(O)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.46
CASR P41180 2/20 0.40
ADRB1 P08588 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL6508454 0.96 ADRB2 (0.47) ADRB2CASRADRB1
SCHEMBL3914927 0.93 ADRB2 (0.44) ADRB2CASRADRB1PPARA
SCHEMBL5665460 0.89 ADRB2 (0.45) ADRB2CASRADRB1
SCHEMBL3914058 0.89 ADRB2 (0.45) ADRB2CASRADRB1
SCHEMBL6529084 0.88 ADRB2 (0.51) ADRB2ADRB1
SCHEMBL6509325 0.85 ADRB2 (0.48) ADRB2ADRB1
SCHEMBL6533340 0.84 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL6508632 0.84 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL6506995 0.84 ADRB2 (0.47) ADRB2ADRB1
SCHEMBL6495955 0.82 LMNA (0.46) ADRB2CASRADRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed