SCHEMBL6533350

SCHEMBL6533350

CC(C)(Cc1cccc(CC(=O)N[C@H](CO)c2ccccc2)c1)NCC(O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.60
CHRM3 P20309 2/20 0.47
ADRB1 P08588 2/20 0.44
ADRB3 P13945 1/20 0.42

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
SCHEMBL3914661 0.93 ADRB2 (0.57) ADRB2CHRM3ADRB1
SCHEMBL6507577 0.89 ADRB2 (0.59) ADRB2CHRM3ADRB1ADRB3
SCHEMBL6533863 0.87 ADRB2 (0.58) ADRB2CHRM3ADRB1
SCHEMBL6528643 0.87 ADRB2 (0.59) ADRB2CHRM3ADRB1
SCHEMBL6507345 0.86 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRB3
SCHEMBL6531915 0.86 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL6533625 0.86 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL5318817 0.85 ADRB2 (0.77) ADRB2CHRM3ADRB3
SCHEMBL2456200 0.85 ADRB2 (0.77) ADRB2CHRM3ADRB3
SCHEMBL2452488 0.85 ADRB2 (0.77) ADRB2CHRM3ADRB3

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