SCHEMBL2594537

SCHEMBL2594537

COc1cc2c(cc1OC)CC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
CYP3A4 P08684 1/20 0.68
MAOA P21397 6/20 0.58
KDM4E B2RXH2 5/20 0.58
CHRNA7 P36544 2/20 0.58
MAOB P27338 2/20 0.58
SLC6A4 P31645 1/20 0.58
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE4D Q08499 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
CA7 P43166 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GLA P06280 2/20 0.48
TSHR P16473 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
SCHEMBL29924708 1.00 MAPT (0.68) MAPTCYP3A4MAOAKDM4ECHRNA7
SCHEMBL14481557 1.00 MAPT (0.68) MAPTCYP3A4MAOAKDM4ECHRNA7
SCHEMBL13456132 0.92 MAPT (0.84) MAPTCYP3A4MAOAKDM4ECHRNA7
SCHEMBL6904036 0.92 MAPT (0.84) MAPTCYP3A4MAOAKDM4ECHRNA7
SCHEMBL59900 0.88 MAPT (0.62) MAPTCYP3A4MAOAKDM4ECHRNA7
SCHEMBL5045112 0.88 MAPT (0.62) MAPTCYP3A4MAOAKDM4ECHRNA7
SCHEMBL7291355 0.87 GAA (0.56) MAPTCYP3A4MAOAKDM4ECHRNA7
SCHEMBL11169272 0.82 MAOA (0.84) MAPTCYP3A4MAOACHRNA7MAOB
SCHEMBL8543417 0.82 MAOA (0.55) MAPTCYP3A4MAOAKDM4ECHRNA7
SCHEMBL3162737 0.82 HTR2A (0.74) MAPTCYP3A4MAOAKDM4ECHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015022702-A3 PROCESS FOR PREPARATION OF 4,5-DIMETHOXYBENZENE DERIVATIVES AND USE IN THE SYNTHESIS OF IVABRADINE AND SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2015-04-09 WO disclosed
WO-2015022702-A2 PROCESS FOR PREPARATION OF 4,5-DIMETHOXYBENZENE DERIVATIVES AND USE IN THE SYNTHESIS OF IVABRADINE AND SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2015-02-19 WO disclosed
WO-2014131996-A1 METHOD FOR THE ENZYMATIC SYNTHESIS OF (7S) 3,4-DIMETHOXYBICYCLO[4.2.0]OCTA-1,3,5-TRIENE 7-CARBOXYLIC ACID AND USE THEREOF IN THE SYNTHESIS OF IVABRADINE AND SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2014-09-04 WO disclosed
EP-2566850-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS Richter Gedeon Nyrt. (HU) 2013-03-13 EP disclosed
WO-2011138625-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS RICHTER GEDEON NYRT. (HU) 2011-11-10 WO disclosed
WO-2011104723-A2 ACID ADDITION SALTS OF IVABRADINE AND PREPARATION THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2011-09-01 WO disclosed
EP-2166004-A1 New method for resolution of enantiomers of (3,4-dimethoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)nitrile and their application to the synthesis of ivabradine Les Laboratoires Servier (FR) 2010-03-24 EP disclosed