SCHEMBL6429703

SCHEMBL6429703

COC(=O)c1c(NC2CCOC2)ccnc1COc1c(C)cc(Cl)cc1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.36
KDR P35968 2/20 0.36
PDE1B Q01064 3/20 0.36
PDE1A P54750 1/20 0.36
PDE1C Q14123 1/20 0.36
LRRK2 Q5S007 2/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
BCL6 P41182 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
PLK4 O00444 1/20 0.33
GSTO1 P78417 1/20 0.33
HPGDS O60760 1/20 0.33
IDH1 O75874 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
SCHEMBL6445649 0.91 HPGDS (0.38) PDE1BPDE1APDE1CLRRK2PDCD1
SCHEMBL6797534 0.75 PDE1B (0.36) PDE1BPDE1APDE1CLRRK2HPGDS
SCHEMBL5844055 0.75 PDE1B (0.36) PDE1BPDE1APDE1CLRRK2HPGDS
SCHEMBL6429709 0.73 PDE4B (0.36) PDE1BPDE1CLRRK2PDCD1CD274
SCHEMBL6799775 0.68 LRRK2 (0.38) PDE1BPDE1APDE1CLRRK2PDCD1
SCHEMBL6792201 0.67 HSP90AA1 (0.41) PDE1BPDE1APDE1C
SCHEMBL6799139 0.67 LRRK2 (0.36) PDE1BLRRK2
SCHEMBL6799142 0.67 LRRK2 (0.36) PDE1BLRRK2
SCHEMBL6795536 0.67 PDE1B (0.37) PDE1BPDE1APDE1CDGAT2HPGDS
SCHEMBL22585839 0.67 CHEK1 (0.43) LRRK2HPGDS

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-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed