SCHEMBL6504599

SCHEMBL6504599

CC(C)(Cc1cccc(CC(=O)N2CCC(CO)CC2)c1)NCC(O)c1ccc(O)c(NC(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.52
ADRB1 P08588 1/20 0.43
CHRM3 P20309 2/20 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
SCHEMBL6515181 0.92 ADRB2 (0.53) ADRB2ADRB1CHRM3
SCHEMBL6515169 0.92 ADRB2 (0.53) ADRB2ADRB1CHRM3
SCHEMBL6506203 0.86 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL6506207 0.86 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL6506907 0.85 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL6506911 0.85 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL6508746 0.85 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL3987796 0.84 ADRB2 (0.47) ADRB2ADRB1
SCHEMBL6531802 0.84 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL6511853 0.82 ADRB2 (0.50) 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