SCHEMBL7694265

SCHEMBL7694265

CC(C)(C)OC(=O)N(CCc1ccc(N)cc1)CC(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.46
BACE1 P56817 5/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
AOC3 Q16853 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL7122416 1.00 ADRB3 (0.46) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL7122412 1.00 ADRB3 (0.46) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL7122414 0.95 BACE1 (0.44) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL27635276 0.90 GLI1 (0.46) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL19245779 0.90 TAAR1 (0.46) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL12834438 0.89 BACE1 (0.44) ADRB3BACE1KDM4EALDH1A1TAAR1
SCHEMBL7120686 0.87 ADRB3 (0.43) ADRB3BACE1
SCHEMBL7993383 0.87 CYP51A1 (0.46) ADRB3BACE1
SCHEMBL7120679 0.87 ADRB3 (0.43) ADRB3BACE1
SCHEMBL17177098 0.85 KCNH2 (0.45) BACE1KDM4EALDH1A1MEN1KMT2A

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
WO-2016024284-A2 A PROCESS FOR THE PREPARATION OF MIRABEGRON AND ITS INTERMEDIATES WANBURY LTD. (IN) 2016-02-18 WO disclosed
WO-2016024284-A2 A PROCESS FOR THE PREPARATION OF MIRABEGRON AND ITS INTERMEDIATES WANBURY LTD. (IN) 2016-02-18 WO disclosed
WO-2015044965-A1 A PROCESS FOR PREPARATION OF MIRABEGRON AND ALPHA CRYSTALLINE FORM THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2015-04-02 WO disclosed
WO-2002006258-A1 AZOLIDINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed