SCHEMBL7897406

SCHEMBL7897406

Cc1cnc(COc2ccc(C3C(=O)C(C)(C)OC3c3ccc(C#N)cc3)cc2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.37
ALOX5AP P20292 1/20 0.35
ACHE P22303 3/20 0.34
PDE10A Q9Y233 2/20 0.33
ALK Q9UM73 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PTGER4 P35408 1/20 0.32
CYP19A1 P11511 1/20 0.32
FFAR1 O14842 1/20 0.32
SCN9A Q15858 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7896382 0.89 KCNH2 (0.40) PDE10ASLC6A3
SCHEMBL286576 0.75 PDE10A (0.37) MAOBALOX5APACHEPDE10ASLC6A3
SCHEMBL286634 0.71 SCN9A (0.38) MAOBALOX5APPDE10ASLC6A3PTGER4
SCHEMBL1420054 0.64 DGAT1 (0.47) PDE10ASLC6A3
SCHEMBL286596 0.63 PDE10A (0.39) ALOX5APPDE10ASLC6A3PTGER4
SCHEMBL298544 0.63 PDE10A (0.48) ALOX5APPDE10ASLC6A3HSD17B10
SCHEMBL13050095 0.61 PDE10A (0.37) PDE10ASLC6A3
SCHEMBL286616 0.60 PTGER4 (0.39) PDE10ASLC6A3PTGER4
SCHEMBL1424098 0.59 PDE10A (0.62) PDE10ASLC6A3
SCHEMBL23235776 0.59 MAOB (0.59) MAOBACHEPTGER4FFAR1

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-2010128995-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed