SCHEMBL19571237

SCHEMBL19571237

CCC(NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 20/20 1.00

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
SCHEMBL16868156 1.00 PDE2A (1.00) PDE2A
SCHEMBL18036033 0.92 PDE2A (0.84) PDE2A
SCHEMBL18388182 0.89 PDE2A (1.00) PDE2A
SCHEMBL18036114 0.88 PDE2A (0.79) PDE2A
SCHEMBL18035973 0.88 PDE2A (0.78) PDE2A
SCHEMBL18052520 0.88 PDE2A (0.78) PDE2A
SCHEMBL18388148 0.88 PDE2A (1.00) PDE2A
SCHEMBL18388252 0.87 PDE2A (1.00) PDE2A
SCHEMBL16867884 0.87 PDE2A (1.00) PDE2A
SCHEMBL16868197 0.87 PDE2A (1.00) 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 3 patents. 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 claimed
US-9815796-B2 Pyrimidone carboxamide compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-14 US claimed
EP-3087060-B1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-05-13 EP disclosed