SCHEMBL8514255

SCHEMBL8514255

Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)nc2ccccc2c1OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
TRPM8 Q7Z2W7 3/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
MAPT P10636 1/20 0.42
DHODH Q02127 2/20 0.42
PTGFR P43088 2/20 0.42
ACP1 P24666 1/20 0.42
TSHR P16473 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
SCN9A Q15858 1/20 0.41
ESR1 P03372 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39

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
SCHEMBL8514251 0.94 PDE10A (0.44) PDE10ATRPM8CTNNB1TCF7L2MAPT
SCHEMBL8514932 0.91 DHODH (0.49) PDE10AMAPTDHODHPTGFRACP1
SCHEMBL8512120 0.90 SCN9A (0.45) PDE10ATRPM8CTNNB1TCF7L2MAPT
SCHEMBL8512116 0.85 PTGDR2 (0.37) PDE10ATRPM8PTGFRPPARDPPARA
SCHEMBL8514929 0.84 DHODH (0.49) PDE10AMAPTDHODHPTGFRACP1
SCHEMBL17593849 0.82 PTGFR (0.56) PDE10AMAPTDHODHPTGFRTSHR
SCHEMBL18075813 0.80 PDE10A (0.61) PDE10AMAPTDHODHTSHR
SCHEMBL8514758 0.78 DHODH (0.44) PDE10AMAPTDHODHPTGFRACP1
SCHEMBL8514061 0.78 DHODH (0.42) TRPM8DHODH
SCHEMBL18987129 0.74 POLB (0.50) PDE10ADHODHTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO claimed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed