SCHEMBL8268486

SCHEMBL8268486

CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc([S+](C)[O-])cc3)ccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.32
PDE1A P54750 3/20 0.31
PDE1B Q01064 3/20 0.31
PDE1C Q14123 3/20 0.31

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
SCHEMBL3602702 0.87 PDE1C (0.36) MERTKPDE1APDE1BPDE1C
SCHEMBL5346457 0.87 PDE1C (0.33) MERTKPDE1APDE1BPDE1C
SCHEMBL3602836 0.87 MERTK (0.33) MERTKPDE1APDE1BPDE1C
SCHEMBL5452107 0.87 MERTK (0.40) MERTKPDE1APDE1BPDE1C
SCHEMBL3607708 0.87 KHK (0.37) MERTKPDE1APDE1BPDE1C
SCHEMBL3609189 0.87 PDE1C (0.39) PDE1APDE1BPDE1C
SCHEMBL3594040 0.86 PTGS2 (0.42) MERTKPDE1APDE1BPDE1C
SCHEMBL3593433 0.86 PDE1C (0.35) MERTKPDE1APDE1BPDE1C
SCHEMBL3607885 0.86 PDE1C (0.45) PDE1APDE1BPDE1C
SCHEMBL5459121 0.85 KHK (0.41) MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed