SCHEMBL15047162

SCHEMBL15047162

COc1cc2c(cc1OC)CC(=O)N(CCCC1OCCO1)C=C2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.55
HCN4 Q9Y3Q4 7/20 0.45
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCL2 P13500 1/20 0.35
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
KCNN2 Q9H2S1 4/20 0.32
KCNN3 Q9UGI6 4/20 0.32
KCNN1 Q92952 2/20 0.32
MEN1 O00255 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL537592 0.93 BRD4 (0.57) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL15858417 0.83 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL15858418 0.82 BRD4 (0.64) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL18870119 0.82 BRD4 (0.64) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL15044209 0.82 BRD4 (0.32) BRD4
SCHEMBL2450139 0.81 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL2820668 0.81 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL30285155 0.81 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL10976351 0.80 BRD4 (0.61) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL10986173 0.80 BRD4 (0.58) BRD4HCN4GAASMN1; SMN2CCL2

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
US-8513410-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2013-08-20 US disclosed
WO-2013093220-A1 METHOD FOR SYNTHESISING IVABRADINE AND THE PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2013-06-27 WO disclosed
EP-2607353-A1 New method for synthesising ivabradine and its added salts with a pharmaceutically acceptable acid. Les Laboratoires Servier (FR) 2013-06-26 EP disclosed
US-20130158256-A1 PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2013-06-20 US disclosed