SCHEMBL2589287

SCHEMBL2589287

COC1CC2CCC2CC1OC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 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
SCHEMBL15850536 0.88 ALDH1A1 (0.39) APLNR
SCHEMBL21134909 0.87 APLNR (0.32) APLNR
SCHEMBL19466298 0.87 APLNR (0.32) APLNR
SCHEMBL12345276 0.79
SCHEMBL15870610 0.78
SCHEMBL15870609 0.78
SCHEMBL5987418 0.78
SCHEMBL19466297 0.77 APLNR (0.32) APLNR
SCHEMBL4940146 0.76 ACE (0.35) APLNR
SCHEMBL14274192 0.73 ATM (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014072640-A1 NOVEL METHOD FOR SYNTHESISING (2E)-3-(3,4-DIMETHOXYPHENYL)PROP-2-ENENITRILE, AND APPLICATION TO THE SYNTHESIS OF IVABRADINE AND THE ADDITION SALTS OF SAME WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2014-05-15 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