SCHEMBL22686804

SCHEMBL22686804

Nc1cc(OC(F)(F)F)cnc1-c1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 14/20 0.47
TRPA1 O75762 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
SCN9A Q15858 2/20 0.38

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
SCHEMBL22686808 0.92 PDE2A (0.46) PDE2ASCN9A
SCHEMBL22686806 0.91 PDE2A (0.49) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22684811 0.90 WDR91 (0.41) PDE2ATRPA1
SCHEMBL22685187 0.87 PDE2A (0.44) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685184 0.86 PDE2A (0.41) PDE2ATRPA1HDAC3HDAC1HDAC2
SCHEMBL22685203 0.83 PDE2A (0.47) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22684761 0.82 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22684816 0.80 PDE2A (0.45) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685347 0.78 PDE2A (0.42) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22685266 0.78 PDE2A (0.40) PDE2AHDAC3HDAC1HDAC2HDAC6

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
WO-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed