SCHEMBL12697471

SCHEMBL12697471

C[C@@H](NC(=O)c1coc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cc(F)c(N)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 19/20 0.43
KLKB1 P03952 1/20 0.36

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
SCHEMBL13513920 0.94 PDE2A (0.41) PDE2AKLKB1
SCHEMBL12697473 0.91 PDE2A (0.39) PDE2AKLKB1
SCHEMBL12563336 0.87 PDE2A (0.44) PDE2A
SCHEMBL1988183 0.86 PDE2A (0.40) PDE2A
SCHEMBL12563265 0.83 PDE2A (0.48) PDE2A
SCHEMBL12563252 0.82 PTGER4 (0.46) PDE2AKLKB1
SCHEMBL12604753 0.82 PDE2A (0.41) PDE2A
SCHEMBL1985028 0.82 PDE2A (0.38) PDE2A
SCHEMBL12603905 0.82 PDE2A (0.38) PDE2A
SCHEMBL12604715 0.82 PDE2A (0.40) 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
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed