SCHEMBL12319782

SCHEMBL12319782

COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C)CC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 3/20 0.71
MAPT P10636 1/20 0.71
SLC6A4 P31645 2/20 0.69
CYP3A4 P08684 1/20 0.69
ALOX15 P16050 1/20 0.69
CHRM2 P08172 1/20 0.69
HTR1A P08908 1/20 0.69
DRD3 P35462 1/20 0.69
KCNH2 Q12809 1/20 0.69
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ABCB1 P08183 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL2061913 0.92 HCN4 (0.61) HCN4MAPTSLC6A4CYP3A4ALOX15
SCHEMBL14696925 0.89 GAA (0.68) HCN4MAPTSLC6A4CYP3A4ALOX15
SCHEMBL10846943 0.88 HCN4 (0.72) HCN4MAPTSLC6A4CYP3A4ALOX15
SCHEMBL15980993 0.85 GAA (0.62) HCN4MAPTSLC6A4CYP3A4ALOX15
SCHEMBL9427426 0.85 HCN4 (0.76) HCN4MAPTSLC6A4CYP3A4ALOX15
SCHEMBL14685025 0.85 HCN4 (0.53) HCN4MAPTSLC6A4CYP3A4ALOX15
SCHEMBL9032662 0.84 GAA (0.61) HCN4MAPTSLC6A4CYP3A4ALOX15
SCHEMBL30081993 0.84 GAA (0.61) HCN4MAPTSLC6A4CYP3A4ALOX15
SCHEMBL14696959 0.84 GAA (0.61) HCN4MAPTSLC6A4CYP3A4ALOX15
SCHEMBL9427588 0.84 HCN4 (0.68) HCN4MAPTSLC6A4CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2781509-B2 New polymorph of ivabradine hydrochloride and method for its preparation CHEMO RES S L (ES) 2023-06-14 EP disclosed
EP-3140287-B1 NEW IVABRADINE SALT AND ITS PREPARATION PROCESS SERVIER LAB (FR) 2018-03-07 EP disclosed
EP-2726462-B1 ACETONE SOLVATE OF IVABRADINE HYDROCHLORIDE SANDOZ AG (CH) 2017-03-22 EP disclosed
WO-2011104723-A2 ACID ADDITION SALTS OF IVABRADINE AND PREPARATION THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2011-09-01 WO disclosed