SCHEMBL13190010

SCHEMBL13190010

COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(OC(C)(F)F)cc1C)CC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.43
WDR5 P61964 8/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
MAPT P10636 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HPGDS O60760 1/20 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
SCHEMBL2820770 0.94 TAOK1 (0.45) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL2820769 0.94 TAOK1 (0.45) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL13190100 0.91 WDR5 (0.46) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL2821726 0.88 PDE10A (0.51) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL2821723 0.88 PDE10A (0.51) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL2819216 0.86 WDR5 (0.46) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL2819212 0.86 WDR5 (0.46) PDE10AWDR5PDE4APDE4BPDE4C
SCHEMBL484111 0.81 PDE4A (0.52) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL484112 0.81 PDE4A (0.52) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2819996 0.80 PDE10A (0.51) PDE10AWDR5PDE4APDE4BPDE4C

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-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed