SCHEMBL21985347

SCHEMBL21985347

CC1=NC(C(=O)NC(C)(c2ccc(S(F)(F)(F)(F)F)cc2)C(C)C)=CON1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.54

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
SCHEMBL16867795 0.70 PDE2A (1.00) PDE2A
SCHEMBL18255573 0.66 PDE2A (1.00) PDE2A
SCHEMBL16868047 0.64 PDE2A (1.00) PDE2A
SCHEMBL21985486 0.62 LDHB (0.40) PDE2A
SCHEMBL21985610 0.59 PDE2A (0.52) PDE2A
SCHEMBL16868043 0.56 PDE2A (0.77) PDE2A
SCHEMBL12946278 0.54 PDE2A (0.67) PDE2A
SCHEMBL13525247 0.54 ANO1 (0.36) PDE2A
SCHEMBL17517022 0.52 PDE2A (0.44) PDE2A
SCHEMBL22589735 0.52 KDM4E (0.58)

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
EP-3087060-B1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-05-13 EP disclosed