SCHEMBL2827366

SCHEMBL2827366

COc1ccc(C2(C#N)CCC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.59
PDE4A P27815 17/20 0.59
PDE4C Q08493 17/20 0.59
PDE4D Q08499 17/20 0.59
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.48

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
SCHEMBL558312 0.97 MEN1 (0.61) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL558606 0.95 MEN1 (0.60) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL77276 0.93 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL25382702 0.87 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL29858617 0.86 PDE4A (0.49) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL23325964 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7381516 0.84 PDE4B (0.75) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7762881 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL21820761 0.84 KMT2A (0.52) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL29858876 0.83 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162438-A2 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF Ind-Swift Laboratories Limited (IN) 2010-03-17 EP disclosed
WO-2008146308-A9 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF IND SWIFT LAB LTD (IN) 2009-01-15 WO disclosed
WO-2008146308-A2 PROCESS FOR THE PREPARATION OF IVABRADINE HYDROCHLORIDE AND POLYMORPH THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2008-12-04 WO disclosed
US-5405866-A Administering with cytostatic drugs to treat drug resistant tumors HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
US-5302727-A For use with antitumor agents HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
US-5296482-A (Benzocycloalkyl) alkylamines ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
EP-0523493-A1 Dithianes F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed
EP-0166937-A2 Adrenergic compounds ABBOTT LABORATORIES (US) 1986-01-08 EP disclosed