SCHEMBL9015935

SCHEMBL9015935

COCC(O)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
KDM4E B2RXH2 1/20 0.74
MAPK1 P28482 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
TSHR P16473 1/20 0.68
ADRA2A P08913 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
MAPT P10636 8/20 0.67
GAA P10253 1/20 0.66
LMNA P02545 1/20 0.63
KMT2A Q03164 4/20 0.62
HTR7 P34969 2/20 0.62
MEN1 O00255 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALOX15 P16050 1/20 0.60
POLB P06746 1/20 0.60
CYP2D6 P10635 1/20 0.60

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
SCHEMBL11481090 0.85 TSHR (0.68) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL8613867 0.84 MAPT (0.82) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL11153486 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL11278251 0.81 TSHR (1.00) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL9339546 0.81 MEN1 (0.58) ALDH1A1KDM4EMAPK1L3MBTL1MAPT
SCHEMBL12577217 0.81 MAPT (1.00) ALDH1A1MAPK1L3MBTL1TSHRMAPT
SCHEMBL12575381 0.81 MAPT (1.00) ALDH1A1MAPK1L3MBTL1TSHRMAPT
Levodropropizine SCHEMBL29043 0.81 ADRA2A (1.00) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
Dropropizine SCHEMBL8379428 0.81 ADRA2A (1.00) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
Dropropizine SCHEMBL93975 0.81 ADRA2A (1.00) ALDH1A1KDM4EMAPK1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed
EP-0441222-B1 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds BOEHRINGER MANNHEIM GMBH (DE) 1996-12-18 EP disclosed
CN-1026248-C Method and sensing electrode system for electrochemical determination of analytes and oxidoreductases BOEHRINGER MANNHEIM GMBH 1994-10-19 CN disclosed
US-5286362-A Reducible substance is enzymatically reduced and oxidized at the electrode; substance formed by oxidation is different from the reducible substance used initially BOEHRINGER MANNHEIM GMBH (DE) 1994-02-15 US disclosed
US-5122244-A Having a reducible nitroso or oxime compound to transfer electrons leading to a signal and form an aromatic amine oxidizable to a compound different from the original; low voltage BOEHRINGER MANNHEIM GMBH (DE) 1992-06-16 US disclosed
CN-1054666-A Be used for the method for electrochemical determination of analyte or oxidoreducing enzyme and sensitive electrode system and for this reason and the compound that uses BOEHRINGER MANNHEIM GMBH (DE) 1991-09-18 CN disclosed
EP-0441222-A2 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed