SCHEMBL12697453

SCHEMBL12697453

C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 19/20 0.42

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
SCHEMBL1984584 1.00 PDE2A (0.42) PDE2A
SCHEMBL12697558 0.92 TRPV1 (0.39) PDE2A
SCHEMBL1987158 0.92 TRPV1 (0.39) PDE2A
SCHEMBL1987338 0.92 PDE2A (0.46) PDE2A
SCHEMBL12603911 0.92 PDE2A (0.46) PDE2A
SCHEMBL12604733 0.91 PDE2A (0.42) PDE2A
SCHEMBL1989719 0.91 PDE2A (0.42) PDE2A
SCHEMBL12603914 0.88 PDE2A (0.40) PDE2A
SCHEMBL1989466 0.88 PDE2A (0.40) PDE2A
SCHEMBL12697479 0.87 HDAC1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed