SCHEMBL1289437

SCHEMBL1289437

COc1ccc2c(c1)C(CCNC(C)=O)=CCC2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.62
MTNR1B P49286 12/20 0.62
NQO2 P16083 5/20 0.62
SMN1; SMN2 Q16637 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
ABCB1 P08183 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL30589884 1.00 MTNR1A (0.62) MTNR1AMTNR1BNQO2SMN1; SMN2SIGMAR1
SCHEMBL7787100 0.93 MTNR1A (0.54) MTNR1AMTNR1BNQO2SIGMAR1ABCB1
SCHEMBL7786940 0.92 MTNR1A (0.53) MTNR1AMTNR1BNQO2SIGMAR1ABCB1
SCHEMBL17634070 0.89 MTNR1A (0.49) MTNR1AMTNR1BNQO2SMN1; SMN2HTR2C
SCHEMBL17643487 0.89 MTNR1A (0.49) MTNR1AMTNR1BNQO2SMN1; SMN2SIGMAR1
SCHEMBL7784332 0.89 MTNR1A (0.78) MTNR1AMTNR1BNQO2SMN1; SMN2HTR2C
SCHEMBL17634073 0.86 MTNR1A (0.47) MTNR1AMTNR1BNQO2SMN1; SMN2SIGMAR1
SCHEMBL17634080 0.86 MTNR1A (0.52) MTNR1AMTNR1BNQO2SMN1; SMN2
SCHEMBL17634076 0.85 MTNR1A (0.48) MTNR1AMTNR1BNQO2SMN1; SMN2
SCHEMBL17634082 0.84 MTNR1A (0.46) MTNR1AMTNR1BNQO2SMN1; SMN2SIGMAR1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705023-A1 PROCESSES FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)ETHYL]ACETAMIDE Symed Labs Limited (IN) 2014-03-12 EP claimed
WO-2012093402-A1 PROCESSES FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)ETHYL]ACETAMIDE SYMED LABS LIMITED (IN) 2012-07-12 WO claimed
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO claimed
EP-2580189-B1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF SERVIER LAB (FR) 2017-10-25 EP disclosed
EP-2580189-B1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF SERVIER LAB (FR) 2017-10-25 EP disclosed
WO-2016046833-A2 IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-03-31 WO disclosed
EP-2909166-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2015-08-26 EP disclosed
WO-2015000555-A2 A NOVEL PROCESS FOR THE PREPARATION OF TETRALIN AND NAPHTHALENE DERIVATIVES PHARMATHEN S.A. (GR) 2015-01-08 WO disclosed
EP-2580183-B1 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE GADOR SA (AR) 2014-07-23 EP disclosed
EP-2580183-B1 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE GADOR SA (AR) 2014-07-23 EP disclosed
US-8779199-B2 Agomelatine intermediates and preparation method thereof LES LABORATOIRES SERVIER (FR) 2014-07-15 US disclosed
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO disclosed
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO disclosed
WO-2011153939-A1 AGOMELATINE INTERMEDIATES AND PREPARATION METHOD THEREOF LES LABORATOIRES SERVIER (FR) 2011-12-15 WO disclosed
WO-2011154140-A2 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE AND NEW CRYSTALLINE FORM GADOR S.A. (AR) 2011-12-15 WO disclosed
WO-2011154140-A2 NEW PROCESS FOR THE PREPARATION OF N-[2-(7-METHOXY-1-NAPHTHYL)-ETHYL]ACETAMIDE AND NEW CRYSTALLINE FORM GADOR S.A. (AR) 2011-12-15 WO disclosed
EP-0848699-B1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-24 EP disclosed
US-5922771-A MELATONIN RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-13 US disclosed
EP-0848699-A1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-06-24 EP disclosed
WO-1997005098-A1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-13 WO disclosed