SCHEMBL18291817

SCHEMBL18291817

CCCCOCc1nn(C(C)c2ccc(C(F)(F)F)cc2)c(N)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 17/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.40
PDE9A O76083 1/20 0.39
BRD4 O60885 1/20 0.36

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
SCHEMBL18291855 0.92 PDE2A (0.49) PDE2APTGDR2PDE9A
SCHEMBL18290682 0.91 PDE2A (0.50) PDE2A
SCHEMBL18290680 0.91 PDE2A (0.48) PDE2APTGDR2
SCHEMBL18290659 0.90 PDE2A (0.53) PDE2A
SCHEMBL18291814 0.89 PDE2A (0.52) PDE2A
SCHEMBL18290658 0.88 PDE2A (0.50) PDE2A
SCHEMBL18290678 0.88 PDE2A (0.46) PDE2A
SCHEMBL18291902 0.86 PDE2A (0.49) PDE2A
SCHEMBL18291819 0.86 PDE2A (0.49) PDE2A
SCHEMBL18290830 0.86 PDE2A (0.75) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016191935-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed