SCHEMBL2376358

SCHEMBL2376358

CN(C)CCCc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM5 P08912 1/20 0.49
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HRH1 P35367 1/20 0.49
OPRM1 P35372 1/20 0.49
HTR2B P41595 1/20 0.49
HTR6 P50406 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
Hydrochloric Acid SCHEMBL9471912 0.98 TAAR1 (0.53) TAAR1ADRA2AADRA2BCYP1A2CHRM2
SCHEMBL9799324 0.94 TAAR1 (0.53) TAAR1ADRA2AADRA2BCYP1A2CHRM2
SCHEMBL2376616 0.88 TAAR1 (0.54) TAAR1ADRA2AADRA2BCYP1A2CHRM2
Hydrochloric Acid SCHEMBL4599895 0.86 KDM4E (0.53) TAAR1ADRA2AADRA2BCYP1A2CHRM2
SCHEMBL13192375 0.83 TAAR1 (0.50) TAAR1ADRA2AADRA2BCYP1A2CHRM2
SCHEMBL21242119 0.83 TAAR1 (0.50) TAAR1ADRA2AADRA2BCYP1A2CHRM2
Hydrochloric Acid SCHEMBL30149000 0.81 CYP1A2 (0.46) TAAR1ADRA2AADRA2BCYP1A2CHRM2
SCHEMBL9281325 0.81 TAAR1 (0.52) TAAR1ADRA2AADRA2BCHRM2CHRM1
SCHEMBL20135772 0.80 TAAR1 (0.73) TAAR1ADRA2AADRA2BALDH1A1SMN1; SMN2
SCHEMBL20146704 0.80 TAAR1 (0.73) TAAR1ADRA2AADRA2BALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111108101-A Novel propylamine derivatives useful for treating pain and pain-related disorders 埃斯蒂文制药股份有限公司 2020-05-05 CN claimed
EP-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 EP claimed
CN-118974010-A Method for decomposing polyether-ether-ketone and novel material using decomposition product obtained by the decomposition method as raw material 国立研究开发法人产业技术综合研究所 2024-11-15 CN disclosed
CN-115135644-B Preparation method and crystal form of 3-aryloxy-3-five-membered heteroaryl-propylamine compound 漳州片仔癀药业股份有限公司 2024-06-18 CN disclosed
CN-114206859-B 3-Aryloxy-3-five-membered heteroaryl-propylamine compound, and crystal forms and application thereof 上海璃道医药科技有限公司 2024-05-28 CN disclosed
CN-112654616-B 3-aryloxy-3-aryl-propylamines and application thereof 漳州片仔癀药业股份有限公司 2024-03-12 CN disclosed
CN-115286613-B Preparation method of duloxetine hydrochloride 潍坊市海欣药业有限公司 2023-01-31 CN disclosed
CN-112566909-B 3-aryloxy-3-five-membered heteroaryl-propylamine compound and application thereof 上海璃道医药科技有限公司 2023-01-03 CN disclosed
CN-115286613-A Preparation method of duloxetine hydrochloride 潍坊市海欣药业有限公司 2022-11-04 CN disclosed
CN-115135644-A Preparation method and crystal form of 3-aryloxy-3-pentabasic heteroaryl-propylamine compound 漳州片仔癀药业股份有限公司 2022-09-30 CN disclosed
CN-114206859-A 3-aryloxy-3-pentabasic heteroaryl-propylamine compound and crystal form and application thereof 上海璃道医药科技有限公司 2022-03-18 CN disclosed
WO-2009130708-A2 PREPARATION OF DULOXETINE AND ITS SALTS SHODHANA LABORATORIES LIMITED (IN) 2009-10-29 WO disclosed
WO-2009109992-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE AND INTERMEDIATES FOR USE THEREIN ARCH PHARMALABS LIMITED (IN) 2009-09-11 WO disclosed
WO-2008107911-A2 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2008-09-12 WO disclosed
US-20070151910-A1 Chromatographic material for the absorption of proteins at physiological ionic strength PALL CORPORATION (US) 2007-07-05 US disclosed
EP-1715948-A2 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH Pall Corporation (US) 2006-11-02 EP disclosed
WO-2005073711-A2 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH PALL CORPORATION (US) 2005-08-11 WO disclosed
US-4506007-A TREATED WITH N,N'-DISUBSTITUTED-S-(DIMETHYLAMINO) ETHYTL)-ISOTHIOUREAS FUJI PHOTO FILM CO., LTD. (JP) 1985-03-19 US disclosed
US-4264618-A Basic thio-indazoles AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1981-04-28 US disclosed
US-4000188-A ANIONIC SURFACTANTS CIBA-GEIGY CORPORATION (US) 1976-12-28 US disclosed