SCHEMBL8593552

SCHEMBL8593552

COc1cccc(C(O)CNC2CCCc3c(ccc(OCc4ccccc4)c3OCc3ccccc3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.45
ADRB1 P08588 3/20 0.45
AGTR2 P50052 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL8540992 0.91 AGTR2 (0.44) ADRB3ADRB1AGTR2
SCHEMBL8545450 0.80 AGTR2 (0.40) AGTR2
SCHEMBL8978466 0.80 AGTR2 (0.44) AGTR2
SCHEMBL5142061 0.77 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL9410787 0.74 AGTR2 (0.44) AGTR2
SCHEMBL8548581 0.74 CA1 (0.47) AGTR2
SCHEMBL8549721 0.74 AGTR2 (0.44) AGTR2
SCHEMBL9410814 0.73 MAOB (0.36) AGTR2
SCHEMBL10529361 0.71 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL10530481 0.71 ADRB3 (0.63) ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608568-B1 Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents AMERICAN CYANAMID CO (US) 1998-03-11 EP disclosed
US-5594027-A TREATMENT OF DIABETES, HYPERGLYCEMIA AND OBESITY AMERICAN CYANAMID COMPANY (US) 1997-01-14 US disclosed
EP-0608568-A1 Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents AMERICAN CYANAMID COMPANY (US) 1994-08-03 EP disclosed