Atropine

Atropine

SCHEMBL7941966

CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3

The experimentally established mechanism targets of Atropine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 5/20 1.00
CHRM2 known ✓ P08172 5/20 1.00
CHRM3 known ✓ P20309 4/20 1.00
CHRM5 P08912 4/20 1.00
CHRM4 P08173 4/20 1.00
LMNA P02545 3/20 1.00
HTR2C P28335 2/20 1.00
BLM P54132 2/20 1.00
NFKB1 P19838 2/20 1.00
KMT2A Q03164 2/20 1.00
KDM4E B2RXH2 1/20 1.00
MEN1 O00255 1/20 1.00
POLB P06746 1/20 1.00
ADRA2C P18825 1/20 1.00
ADRA1A P35348 1/20 1.00
HRH1 P35367 1/20 1.00
SLC22A1 O15245 1/20 1.00
ADRA1D P25100 1/20 1.00
MAPT P10636 1/20 0.91
ALDH1A1 P00352 1/20 0.88

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
Hyoscyamine SCHEMBL41316 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
Atropine SCHEMBL41317 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
Atropine SCHEMBL17775090 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
Atropine SCHEMBL2728129 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
Atropine SCHEMBL14946873 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
Atropine SCHEMBL8854381 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
Atropine SCHEMBL25020 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
Atropine SCHEMBL2812 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
Atropine SCHEMBL249586 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4
Hyoscyamine SCHEMBL4957671 1.00 CHRM1 (1.00) CHRM1CHRM2CHRM5CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016016692-A1 PROCESS FOR PREPARATION OF ATROPINE ROUVER INVESTMENT S.À.R.L (LU) 2016-02-04 WO disclosed
WO-2014186790-A1 CARDIAC ARREST EVENT (CODE) SUPPORT SYSTEM, EQUIPMENT AND METHDOLOGIES PROVIDING RECORDATION, DOCUMENTATION, ANALYSIS, FEEDBACK AND POST EVENT PROCESSING SCIENTIFIC PATHWAYS INTERNATIONAL, LLC (US) 2014-11-20 WO disclosed
CN-1187618-C Reagent box for fast detecting methyl amphetamine and its preparation process KAICHUANG BIOTECHNOLOGY CO LTD (CN) 2005-02-02 CN disclosed
CN-1410770-A Reagent box for fast detecting methyl amphetamine and its preparation process KAICHUANG BIOTECHNOLOGY CO LTD (CN) 2003-04-16 CN disclosed
EP-1117409-A2 USE OF BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM Aventis Pharma Deutschland GmbH (DE) 2001-07-25 EP disclosed
US-6162186-A Non-invasive method for diagnosing alzheimer's disease in a patient BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2000-12-19 US disclosed
EP-1011415-A1 NON-INVASIVE METHOD FOR DIAGNOSING ALZHEIMER'S DISEASE IN A PATIENT BETH ISRAEL HOSPITAL (US) 2000-06-28 EP disclosed
WO-2000015204-A2 USE OF BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT AND PROPHYLAXIS OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM AND USE OF BENZENESULFONYL(THIO)UREAS IN COMBINATION WITH BETA-RECEPTOR BLOCKERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-03-23 WO disclosed
US-6024707-A Non-invasive method for diagnosing Alzheimer's disease in a patient BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2000-02-15 US disclosed
US-5704369-A Non-invasive method for diagnosing Alzeheimer's disease in a patient BETH ISRAEL HOSPITAL ASSOCIATION, INC. (US) 1998-01-06 US disclosed
EP-1011415-A4 NON-INVASIVE METHOD FOR DIAGNOSING ALZHEIMER'S DISEASE IN A PATIENT BETH ISRAEL HOSPITAL (US) 1997-08-18 EP disclosed
US-5617872-A INTRODUCING PHOTOSTIMULATING LIGHT OF PREDETERMINED WAVELENGTH TO PUPIL OF EYE, DETERMINING VELOCITY OF CONSTRICTION, ADMINISTERING NEURAL TRANSMITTER MEDIATOR, NOTING CHANGE IN PUPIL RESPONSE BETH ISRAEL HOSPITCAL ASSOC. INC. (US) 1997-04-08 US disclosed
WO-1996003070-A1 NON-INVASIVE METHOD FOR DIAGNOSING ALZHEIMER'S DISEASE IN A PATIENT BETH ISRAEL HOSPITAL ASSOCIATION (US) 1996-02-08 WO disclosed