SCHEMBL6445649

SCHEMBL6445649

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.38
MKNK1 Q9BUB5 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
PDE1B Q01064 6/20 0.36
FASN P49327 2/20 0.36
PDE1C Q14123 5/20 0.35
PDE1A P54750 3/20 0.35
LRRK2 Q5S007 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
KMT2A Q03164 1/20 0.34
DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL6429703 0.91 PDGFRB (0.36) HPGDSPDE1BPDE1CPDE1ALRRK2
SCHEMBL5845474 0.75 HPGDS (0.38) HPGDSCYP3A4HPGDPDE1BFASN
SCHEMBL6465311 0.74 HPGD (0.39) CYP3A4HPGDNPC1RAB9A
SCHEMBL6795536 0.70 PDE1B (0.37) HPGDSPDE1BPDE1CPDE1ADGAT2
SCHEMBL6797756 0.69 HPGDS (0.35) HPGDSPDE1BLRRK2
SCHEMBL6800033 0.69 GRM5 (0.38) HPGDSPDE1B
SCHEMBL6429820 0.67 KDM4E (0.34) CYP3A4HPGD
SCHEMBL6797091 0.67 MCHR1 (0.35) HPGDSPDE1BPDE1CPDE1A
SCHEMBL6797534 0.65 PDE1B (0.36) HPGDSPDE1BPDE1CPDE1ALRRK2
SCHEMBL5844055 0.65 PDE1B (0.36) HPGDSPDE1BPDE1CPDE1ALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891005-B2 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED (GB) 2005-05-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-20030199650-A1 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED 2003-10-23 US disclosed
EP-1119575-B1 BRIDGED METAL COMPLEXES DOW CHEMICAL CO (US) 2003-09-03 EP disclosed
EP-1141034-B1 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP CHEM INT LTD (GB) 2002-10-30 EP disclosed
US-6376406-B1 COORDINATION POLYMERIZATION CATALYSTS FOR ALPHA-OLEFINS THE DOW CHEMICAL COMPANY 2002-04-23 US disclosed
US-6284905-B1 GROUP 4 TRANSITION METAL COMPLEX CONTAINING A BORON OR ALUMINUM BRIDGING GROUP CONTAINING A NITROGEN CONTAINING ELECTRON DONATING GROUP, ESPECIALLY AN AMIDO GROUP; OLEFIN SOLUTION OR SLURRY POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2001-09-04 US disclosed
EP-1119575-A1 BRIDGED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-08-01 EP disclosed
WO-2000020426-A1 BRIDGED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-04-13 WO disclosed