SCHEMBL15044202

SCHEMBL15044202

O=CCCCN1CCc2cc(CO)c(CO)cc2CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL8270902 0.92 HCN4 (0.35) HCN4MAPTCYP3A4ALOX15CHRM2
SCHEMBL15180368 0.86 HCN4 (0.42) HCN4MAPTCYP3A4ALOX15CHRM2
SCHEMBL12462421 0.81 SMN1; SMN2 (0.40) HCN4MAPTCYP3A4ALOX15CHRM2
SCHEMBL15047160 0.81 HCN4 (0.58) HCN4MAPTCYP3A4ALOX15CHRM2
SCHEMBL8360852 0.81 HCN4 (0.40) HCN4MAPTCYP3A4ALOX15CHRM2
SCHEMBL15044211 0.79 HCN4 (0.39) HCN4MAPTCYP3A4ALOX15CHRM2
SCHEMBL8373923 0.78 KMT2A (0.36) HCN4MAPTCYP3A4ALOX15CHRM2
SCHEMBL8277872 0.78 ACHE (0.43) HCN4MAPTCYP3A4ALOX15CHRM2
SCHEMBL15043264 0.75 HCN4 (0.35) HCN4MAPTCYP3A4ALOX15CHRM2
SCHEMBL333767 0.72 GAA (0.61) HCN4MAPTCYP3A4ALOX15CHRM2

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 2 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
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