SCHEMBL12697473

SCHEMBL12697473

C=C(C)c1cc(Oc2nc(C(=O)N[C@H](C)c3cc(F)c(N)c(F)c3)co2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.39
KLKB1 P03952 1/20 0.33

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
SCHEMBL12697471 0.91 PDE2A (0.43) PDE2AKLKB1
SCHEMBL13513913 0.88 PDE2A (0.36) PDE2A
SCHEMBL1987394 0.88 PDE2A (0.36) PDE2A
SCHEMBL13513920 0.88 PDE2A (0.41) PDE2AKLKB1
SCHEMBL12563357 0.82 PDE2A (0.38) PDE2AKLKB1
SCHEMBL12563336 0.81 PDE2A (0.44) PDE2A
SCHEMBL1988183 0.79 PDE2A (0.40) PDE2A
SCHEMBL2868649 0.78 KLKB1 (0.33) KLKB1
SCHEMBL12605012 0.77 PDE2A (0.34) PDE2AKLKB1
SCHEMBL12563265 0.77 PDE2A (0.48) 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