SCHEMBL10022907

SCHEMBL10022907

COc1cc2c(cc1C)[C@@H](CN(C)CCCN1C=Cc3cc(OC)c(OC)cc3CC1=O)C2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 7/20 0.58
CHRM2 P08172 1/20 0.58
HTR1A P08908 1/20 0.58
SLC6A4 P31645 1/20 0.58
DRD3 P35462 1/20 0.58
KCNH2 Q12809 1/20 0.58
BRD4 O60885 3/20 0.47
MAPT P10636 3/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
CCL2 P13500 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL15701365 0.95 HCN4 (0.55) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL15871675 0.95 HCN4 (0.55) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL333491 0.95 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL31280 0.95 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL30284992 0.95 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL15858419 0.95 HCN4 (0.64) HCN4CHRM2HTR1ASLC6A4DRD3
Hydrochloric Acid SCHEMBL14696912 0.94 HCN4 (0.63) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL16203194 0.94 HCN4 (0.60) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL6846082 0.91 HCN4 (0.51) HCN4CHRM2HTR1ASLC6A4DRD3
Oxalic Acid SCHEMBL2594323 0.91 HCN4 (0.59) HCN4CHRM2HTR1ASLC6A4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097720-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid Les Laboratories Server (FR) 2012-01-17 US disclosed