SCHEMBL2054532

SCHEMBL2054532

Cc1ccc(CCC[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.64
ADRB2 P07550 3/20 0.59

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
SCHEMBL965548 0.90 ADRB3 (0.62) ADRB3ADRB2
SCHEMBL4884668 0.81 ADRB3 (0.79) ADRB3ADRB2
SCHEMBL10028788 0.80 ADRB3 (0.81) ADRB3ADRB2
SCHEMBL10488100 0.80 ADRB3 (0.53) ADRB3ADRB2
SCHEMBL9421508 0.80 ADRB2 (0.58) ADRB3ADRB2
SCHEMBL27612121 0.79 ADRB3 (0.81) ADRB3ADRB2
SCHEMBL11819755 0.79 ADRB2 (0.65) ADRB3ADRB2
Soterenol SCHEMBL119138 0.79 ADRB3 (1.00) ADRB3ADRB2
Soterenol SCHEMBL635183 0.78 ADRB3 (0.97) ADRB3ADRB2
Soterenol SCHEMBL1652640 0.77 ADRB3 (0.95) ADRB3ADRB2

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
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed