SCHEMBL5592943

SCHEMBL5592943

Cc1cccnc1CC(=O)Cc1coc(-c2ccc(OC(F)F)c(O)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
ADORA2B P29275 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
SCHEMBL4639469 0.93 LMNA (0.35) LMNAADORA2AADORA1GAATSHR
SCHEMBL4639667 0.90 S1PR1 (0.37) LMNA
SCHEMBL5593005 0.90 S1PR1 (0.34) LMNAADORA2AADORA1PPARGPPARA
SCHEMBL4639774 0.89 MGAM (0.38) ADORA2AADORA1GAAKMT2A
SCHEMBL4640553 0.88 FPR2 (0.34)
SCHEMBL4639491 0.87 PDE4D (0.34) LMNAADORA2AADORA1
SCHEMBL4641206 0.87 PARP1 (0.31) LMNAADORA2AADORA1
SCHEMBL4639663 0.85 ADORA2A (0.30) LMNAADORA2AADORA1
SCHEMBL4639593 0.85 LCLAT1 (0.34) LMNAGAATSHRKMT2A
SCHEMBL4639813 0.82 S1PR1 (0.43) LMNAKMT2A

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-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed