SCHEMBL18290657

SCHEMBL18290657

CCCCOCc1nn(C(C)c2ccc(OC(F)(F)F)c(F)c2)c(N)c1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 17/20 0.59
GPR139 Q6DWJ6 2/20 0.37
CACNA1H O95180 1/20 0.35

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
SCHEMBL18290830 0.88 PDE2A (0.75) PDE2A
SCHEMBL18290659 0.88 PDE2A (0.53) PDE2AGPR139
SCHEMBL20150743 0.88 PDE2A (0.56) PDE2AGPR139CACNA1H
SCHEMBL20138405 0.86 PDE2A (0.79) PDE2AGPR139CACNA1H
SCHEMBL18290602 0.85 PDE2A (0.58) PDE2AGPR139CACNA1H
SCHEMBL18291817 0.83 PDE2A (0.56) PDE2A
SCHEMBL18291814 0.81 PDE2A (0.52) PDE2A
SCHEMBL18290658 0.81 PDE2A (0.50) PDE2A
SCHEMBL18290592 0.81 PDE2A (0.46) PDE2AGPR139
SCHEMBL18290682 0.80 PDE2A (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

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