SCHEMBL6533798

SCHEMBL6533798

C[C@@H](CO)NC(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NC(N)=O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.60
CHRM3 P20309 2/20 0.49
ADRB1 P08588 1/20 0.47

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
SCHEMBL6533805 1.00 ADRB2 (0.60) ADRB2CHRM3ADRB1
SCHEMBL6507345 0.90 ADRB2 (0.61) ADRB2CHRM3ADRB1
SCHEMBL6531639 0.90 ADRB2 (0.59) ADRB2CHRM3ADRB1
SCHEMBL6531627 0.90 ADRB2 (0.59) ADRB2CHRM3ADRB1
SCHEMBL6531338 0.90 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL6531334 0.90 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL6532863 0.90 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL6532865 0.90 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL6533943 0.89 ADRB2 (0.60) ADRB2CHRM3ADRB1
SCHEMBL6533948 0.89 ADRB2 (0.60) ADRB2CHRM3ADRB1

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