SCHEMBL18290683

SCHEMBL18290683

CCCCOCc1nn(C(c2ccc(C(F)(F)F)cc2)C2(C)CC2)c(N)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.45
RPS6KB1 P23443 1/20 0.33
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
CETP P11597 1/20 0.32
FFAR1 O14842 2/20 0.32
PPARG P37231 1/20 0.32
BTK Q06187 3/20 0.32
SLC6A5 Q9Y345 1/20 0.31
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 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
SCHEMBL18290695 0.88 PDE2A (0.58) PDE2AFFAR1BTK
SCHEMBL20150755 0.87 PDE2A (0.51) PDE2ARPS6KB1BTK
SCHEMBL18285734 0.87 PDE2A (0.60) PDE2AFFAR1PPARG
SCHEMBL18291817 0.86 PDE2A (0.56) PDE2A
SCHEMBL18290678 0.86 PDE2A (0.46) PDE2ANOD2NOD1SLC6A5LIPC
SCHEMBL18290680 0.85 PDE2A (0.48) PDE2ANOD2NOD1
SCHEMBL18290688 0.84 PDE2A (0.57) PDE2ARPS6KB1BTK
SCHEMBL18291855 0.79 PDE2A (0.49) PDE2ANOD2NOD1
SCHEMBL18290682 0.78 PDE2A (0.50) PDE2APPARG
SCHEMBL18291901 0.78 PDE2A (0.38) PDE2ANOD2NOD1BTKSLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016192083-A1 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
WO-2016196417-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016191935-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed