SCHEMBL2451871

SCHEMBL2451871

CC(C(=O)O)c1cccc(CC(C)(C)NC[C@@H](O[Si](C)(C)C(C)(C)C)c2ccc(O)c(NS(C)(=O)=O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.55
CHRM3 P20309 1/20 0.44
ADRB3 P13945 6/20 0.44

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
SCHEMBL2451868 1.00 ADRB2 (0.55) ADRB2CHRM3ADRB3
SCHEMBL5037512 0.92 ADRB2 (0.56) ADRB2ADRB3
SCHEMBL5037510 0.92 ADRB2 (0.56) ADRB2ADRB3
SCHEMBL2959041 0.89 ADRB2 (0.59) ADRB2CHRM3ADRB3
SCHEMBL2958560 0.89 ADRB2 (0.59) ADRB2CHRM3ADRB3
SCHEMBL2454533 0.89 ADRB2 (0.57) ADRB2ADRB3
SCHEMBL2454530 0.89 ADRB2 (0.57) ADRB2ADRB3
SCHEMBL5037003 0.88 ADRB2 (0.44) ADRB2CHRM3ADRB3
SCHEMBL5037004 0.88 ADRB2 (0.44) ADRB2CHRM3ADRB3
SCHEMBL12305650 0.87 ADRB2 (0.57) 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
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed