SCHEMBL5318817

SCHEMBL5318817

CC(C)(Cc1cccc(CC(=O)NC(CO)c2ccccc2)c1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.77
CHRM3 P20309 1/20 0.61
ADRB3 P13945 2/20 0.56

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
SCHEMBL2452488 1.00 ADRB2 (0.77) ADRB2CHRM3ADRB3
SCHEMBL2456200 1.00 ADRB2 (0.77) ADRB2CHRM3ADRB3
SCHEMBL2456196 1.00 ADRB2 (0.77) ADRB2CHRM3ADRB3
SCHEMBL2452486 1.00 ADRB2 (0.77) ADRB2CHRM3ADRB3
SCHEMBL6017557 0.91 ADRB2 (0.73) ADRB2CHRM3ADRB3
SCHEMBL6507345 0.89 ADRB2 (0.61) ADRB2CHRM3ADRB3
SCHEMBL6017601 0.88 ADRB2 (0.75) ADRB2CHRM3ADRB3
SCHEMBL5037075 0.87 ADRB2 (1.00) ADRB2CHRM3ADRB3
SCHEMBL5037072 0.87 ADRB2 (1.00) ADRB2CHRM3ADRB3
SCHEMBL12305639 0.86 ADRB2 (0.80) 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
EP-1708991-B1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2007-10-17 EP claimed