SCHEMBL8548336

SCHEMBL8548336

CC(=O)NC1Cc2ccc(O)c(O)c2C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA12 O43570 2/20 0.51
CA7 P43166 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA9 Q16790 1/20 0.51
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46

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
SCHEMBL8548253 0.84 MTNR1A (0.51) CA1CA2CA12CA7CA14
SCHEMBL6081151 0.77 CA1 (0.43) CA1CA2CA12CA7CA14
SCHEMBL9505624 0.73 CA1 (0.63) CA1CA2CA12CA7CA14
SCHEMBL30595323 0.73 MTNR1A (0.77) CA1CA2CA12CA7CA14
SCHEMBL1029693 0.73 MTNR1A (0.77) CA1CA2CA12CA7CA14
SCHEMBL23230039 0.73 MTNR1A (0.53) CA1CA2CA12CA7CA14
SCHEMBL6075588 0.73 MTNR1A (0.72) CA1CA2CA12CA7CA14
SCHEMBL6076582 0.73 CA1 (0.41) CA1CA2CA12CA7CA14
SCHEMBL6076018 0.73 CA1 (0.41) CA1CA2CA12CA7CA14
SCHEMBL9092783 0.71 MTNR1A (0.47) CA1CA2CA12CA7CA14

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 4 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
US-5510376-A TREATING DIABETES, HYPERGLYCEMIA, OBESITY AMERICAN CYANAMID COMPANY (US) 1996-04-23 US disclosed
EP-0608568-A1 Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents AMERICAN CYANAMID COMPANY (US) 1994-08-03 EP disclosed