SCHEMBL16609239

SCHEMBL16609239

Nc1ccc(CCNC(=O)[C@H](O)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.54
POLB P06746 2/20 0.54
CNR1 P21554 2/20 0.52
CNR2 P34972 1/20 0.52
HIF1A Q16665 1/20 0.48
SOAT1 P35610 1/20 0.48
ESRRG P62508 1/20 0.48
GLI1 P08151 1/20 0.45
GLI2 P10070 1/20 0.45
TACR1 P25103 1/20 0.45
KDM4A O75164 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL17204643 1.00 NAAA (0.54) NAAAPOLBCNR1CNR2HIF1A
Hydrochloric Acid SCHEMBL17203996 0.99 NAAA (0.52) NAAAPOLBCNR1CNR2HIF1A
Hydrochloric Acid SCHEMBL17204549 0.99 NAAA (0.52) NAAAPOLBCNR1CNR2HIF1A
SCHEMBL8974580 0.89 POLB (0.65) NAAAPOLBCNR1KDM4A
SCHEMBL28414032 0.89 POLB (0.65) NAAAPOLBCNR1KDM4A
SCHEMBL6923899 0.87 CNR1 (0.69) POLBCNR1CNR2SOAT1TACR1
SCHEMBL13883466 0.87 GLI1 (0.58) NAAAPOLBCNR1CNR2GLI1
SCHEMBL9542025 0.87 GLI1 (0.58) NAAAPOLBCNR1CNR2GLI1
SCHEMBL16609241 0.84 POLB (0.52) POLBCNR1CNR2HIF1ASOAT1
SCHEMBL17519900 0.84 GLI1 (0.59) POLBCNR1CNR2ESRRGGLI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016877-B Acetylaniline compounds and application thereof in preparation of mirabegron 南京海融制药有限公司 2017-02-15 CN claimed
CN-104016877-A Acetylaniline compounds and application thereof in preparation of mirabegron NANJING HAIRONG PHARMACEUTICAL TECHNOLOGY CO LTD 2014-09-03 CN claimed
CN-111269157-B Amisulpride impurity and preparation method thereof 南京海纳医药科技股份有限公司 2021-12-03 CN disclosed
CN-111269157-A Amisulpride impurity and preparation method thereof 南京海纳医药科技股份有限公司 2020-06-12 CN disclosed
CN-104016877-B Acetylaniline compounds and application thereof in preparation of mirabegron 南京海融制药有限公司 2017-02-15 CN disclosed
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-2015162536-A1 NOVEL PROCESS FOR PREPARATION OF MIRABEGRON AND IT'S INTERMEDIATE CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2015-10-29 WO disclosed
WO-2015162536-A1 NOVEL PROCESS FOR PREPARATION OF MIRABEGRON AND IT'S INTERMEDIATE CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2015-10-29 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
CN-104016877-A Acetylaniline compounds and application thereof in preparation of mirabegron NANJING HAIRONG PHARMACEUTICAL TECHNOLOGY CO LTD 2014-09-03 CN disclosed