SCHEMBL2592743

SCHEMBL2592743

COC1(OC)Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL18403871 0.80 MEN1 (0.40) HTR2AMEN1KMT2AADRA2AADRA2B
SCHEMBL15547835 0.78 KDM1A (0.44) HTR2AMEN1KMT2ASIGMAR1
SCHEMBL1820390 0.75 MEN1 (0.51) MEN1KMT2ASIGMAR1
SCHEMBL22202531 0.73 SIGMAR1 (0.37) HTR2AMEN1KMT2ASIGMAR1
SCHEMBL8106287 0.72 HTR2A (0.33) HTR2AMEN1KMT2ASIGMAR1
SCHEMBL29498104 0.71 L3MBTL1 (0.46) HTR2AMEN1KMT2ASIGMAR1
SCHEMBL1793005 0.71 L3MBTL1 (0.46) HTR2AMEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL6600350 0.70 L3MBTL1 (0.45) HTR2AKMT2ASIGMAR1
SCHEMBL10711927 0.70 SIGMAR1 (0.33) HTR2ASIGMAR1
SCHEMBL18091472 0.69 PPIB (0.34) ADRA2AADRA2BADRA2CADRA1B

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
EP-2566850-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT RICHTER GEDEON NYRT (HU) 2018-04-11 EP 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