SCHEMBL18291843

SCHEMBL18291843

Cc1nc2c(c(COc3nc4c(c(CO)nn4C(C)c4ccc(C(F)(F)F)cc4)c(=O)[nH]3)nn2C(c2ccc(C(F)(F)F)cc2)C(F)(F)F)c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 20/20 0.72

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
SCHEMBL18283066 0.88 PDE2A (0.63) PDE2A
SCHEMBL18283311 0.87 PDE2A (0.80) PDE2A
SCHEMBL18282784 0.87 PDE2A (0.80) PDE2A
SCHEMBL18282946 0.87 PDE2A (0.80) PDE2A
SCHEMBL20185302 0.84 PDE2A (1.00) PDE2A
SCHEMBL20185301 0.84 PDE2A (1.00) PDE2A
SCHEMBL18282978 0.83 PDE2A (0.69) PDE2A
SCHEMBL18283185 0.83 PDE2A (0.69) PDE2A
SCHEMBL18282974 0.83 PDE2A (0.69) PDE2A
SCHEMBL18282706 0.81 PDE2A (0.62) 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 1 patent. 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
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