SCHEMBL6533241

SCHEMBL6533241

CC(C)C[C@@H](CO)NC(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.55
ADRB1 P08588 1/20 0.44
CHRM3 P20309 2/20 0.43

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
SCHEMBL3925129 0.93 ADRB2 (0.53) ADRB2ADRB1CHRM3
SCHEMBL6531915 0.91 ADRB2 (0.56) ADRB2ADRB1CHRM3
SCHEMBL6533863 0.89 ADRB2 (0.58) ADRB2ADRB1CHRM3
SCHEMBL6533625 0.88 ADRB2 (0.56) ADRB2ADRB1CHRM3
SCHEMBL6528643 0.87 ADRB2 (0.59) ADRB2ADRB1CHRM3
SCHEMBL6533717 0.85 ADRB2 (0.54) ADRB2ADRB1CHRM3
SCHEMBL6533350 0.85 ADRB2 (0.60) ADRB2ADRB1CHRM3
SCHEMBL6507577 0.85 ADRB2 (0.59) ADRB2ADRB1CHRM3
SCHEMBL3921954 0.84 ADRB2 (0.54) ADRB2ADRB1CHRM3
SCHEMBL3915785 0.82 ADRB2 (0.56) ADRB2ADRB1CHRM3

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