SCHEMBL12697447

SCHEMBL12697447

C[C@@H](NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(F)c(N)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 19/20 0.49
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL12563474 0.91 PDE2A (0.51) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12603911 0.86 PDE2A (0.46) PDE2AHDAC1HDAC8HDAC6
SCHEMBL1987338 0.86 PDE2A (0.46) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12604757 0.85 PDE2A (0.41) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12604739 0.84 CYP1A2 (0.43) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12603620 0.83 PDE2A (0.43) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12563476 0.83 PDE2A (0.49) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12605025 0.82 HDAC1 (0.44) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12605032 0.82 HDAC1 (0.57) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12563512 0.82 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