Sugi Predict

Sugi Predict / Compounds / SCHEMBL6017479

SCHEMBL6017479

SCHEMBL6017479

C[C@H](Cc1cccc(CC(=O)NCc2cccc(Cl)c2Cl)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1.Cc1ccc(CNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.78
▸ ADRB3 P13945 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
SCHEMBL5036985 0.94 ADRB2 (0.87) ADRB2ADRB3
SCHEMBL5037745 0.94 ADRB2 (0.87) ADRB2ADRB3
SCHEMBL5034389 0.94 ADRB2 (0.78) ADRB2ADRB3
SCHEMBL5034384 0.94 ADRB2 (0.78) ADRB2ADRB3
SCHEMBL5034362 0.89 ADRB2 (0.82) ADRB2ADRB3
SCHEMBL5568250 0.89 ADRB2 (0.82) ADRB2ADRB3
SCHEMBL5034360 0.89 ADRB2 (0.82) ADRB2ADRB3
SCHEMBL5043947 0.88 ADRB2 (1.00) ADRB2ADRB3
SCHEMBL5043949 0.88 ADRB2 (1.00) ADRB2ADRB3
SCHEMBL5036981 0.85 ADRB2 (0.78) ADRB2ADRB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708992-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 — — EP claimed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 — — WO claimed