SCHEMBL6509104

SCHEMBL6509104

COc1ccc(CNC(=O)Cc2cccc(CC(C)(C)NCC(O)c3ccc(O)c(NC(N)=O)c3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.69
CHRM3 P20309 2/20 0.49
ADRB3 P13945 2/20 0.49

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
SCHEMBL6506343 0.94 ADRB2 (0.67) ADRB2CHRM3
SCHEMBL6509832 0.91 ADRB2 (0.71) ADRB2CHRM3
SCHEMBL6507379 0.90 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL5037157 0.89 ADRB2 (0.85) ADRB2CHRM3ADRB3
SCHEMBL5037153 0.89 ADRB2 (0.85) ADRB2CHRM3ADRB3
SCHEMBL6509152 0.89 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL6507981 0.88 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL6509816 0.88 ADRB2 (0.80) ADRB2CHRM3
SCHEMBL6507640 0.87 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL3916827 0.84 ADRB2 (0.63) ADRB2

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