SCHEMBL14697993

SCHEMBL14697993

Oc1cccc2c1CC[C@H](N(CCc1cccs1)CCc1cccs1)C2

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.89
DRD3 P35462 11/20 0.89
DRD4 P21917 8/20 0.89
DRD1 P21728 5/20 0.89
HTR1A P08908 2/20 0.89
ADRA2A P08913 1/20 0.89
ADORA3 P0DMS8 1/20 0.89
CHRM1 P11229 1/20 0.89
ADRA2B P18089 1/20 0.89
ADRA2C P18825 1/20 0.89
CNR1 P21554 1/20 0.89
ACHE P22303 1/20 0.89
SLC6A2 P23975 1/20 0.89
HTR2A P28223 1/20 0.89
SLC6A4 P31645 1/20 0.89
ADRA1A P35348 1/20 0.89
PTGS2 P35354 1/20 0.89
HRH1 P35367 1/20 0.89
OPRM1 P35372 1/20 0.89
OPRD1 P41143 1/20 0.89

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
SCHEMBL14696824 1.00 DRD2 (0.89) DRD2DRD3DRD4DRD1HTR1A
Rotigotine SCHEMBL1088585 0.94 DRD2 (1.00) DRD2DRD3DRD4DRD1HTR1A
Rotigotine SCHEMBL30200958 0.94 DRD2 (1.00) DRD2DRD3DRD4DRD1HTR1A
Rotigotine SCHEMBL9405994 0.94 DRD2 (1.00) DRD2DRD3DRD4DRD1HTR1A
Rotigotine SCHEMBL50425 0.94 DRD2 (1.00) DRD2DRD3DRD4DRD1HTR1A
Rotigotine SCHEMBL29354493 0.94 DRD2 (1.00) DRD2DRD3DRD4DRD1HTR1A
Rotigotine SCHEMBL15970012 0.94 DRD2 (0.98) DRD2DRD3DRD4DRD1HTR1A
Rotigotine SCHEMBL2597403 0.94 DRD2 (0.98) DRD2DRD3DRD4DRD1HTR1A
Rotigotine SCHEMBL2597402 0.94 DRD2 (0.98) DRD2DRD3DRD4DRD1HTR1A
Rotigotine SCHEMBL30730591 0.94 DRD2 (0.98) DRD2DRD3DRD4DRD1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117007707-A Improved detection method for impurities in rotigotine 北京泰德制药股份有限公司 2023-11-07 CN disclosed
EP-2744801-B1 5,6,7,8-TETRAHYDRO-6-[N,N-BIS[(2-THIENYL)ETHYL]]AMINO-1-NAPHTHOL, AND PREPARING METHOD AND USE THEREOF SHAN DONG LUYE PHARM CO LTD (CN) 2017-02-15 EP disclosed
US-9012660-B2 5,6,7,8-tetrahydro-6-[N,N-bis[(2-thienyl)ethyl]] amino-1-naphthol, and preparing method and use thereof SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2015-04-21 US disclosed
EP-2744801-A1 5,6,7,8-TETRAHYDRO-6-[N,N-BIS[(2-THIENYL)ETHYL]]AMINO-1-NAPHTHOL, AND PREPARING METHOD AND USE THEREOF Shan Dong Luye Pharmaceutical Co., Ltd. (CN) 2014-06-25 EP disclosed
WO-2013023433-A1 5,6,7,8-TETRAHYDRO-6-[N,N-BIS[(2-THIENYL)ETHYL]]AMINO-1-NAPHTHOL, AND PREPARING METHOD AND USE THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD (CN) 2013-02-21 WO disclosed