SCHEMBL13539468

SCHEMBL13539468

CC[C@@](O)(CNC)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 13/20 0.55
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL20204783 0.90 DUT (0.53) DUTIDO1TDO2ROCK2
SCHEMBL21324997 0.86 DUT (0.51) DUTIDO1TDO2ROCK2
SCHEMBL23473306 0.85 DUT (0.51) DUTIDO1TDO2ROCK2
SCHEMBL21315522 0.85 DUT (0.50) DUTIDO1TDO2ROCK2
SCHEMBL20188353 0.85 DUT (0.50) DUTIDO1TDO2ROCK2
SCHEMBL21325366 0.83 DUT (0.69) DUT
SCHEMBL29387080 0.81 DUT (0.54) DUT
SCHEMBL16891348 0.81 DUT (0.46) DUTIDO1TDO2
SCHEMBL21325374 0.81 DUT (0.73) DUT
SCHEMBL21315532 0.81 DUT (0.71) DUT

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-2010007800-A1 NOVEL URACIL COMPOUND HAVING AMIDE STRUCTURE AND SALT THEREOF 大鵬薬品工業株式会社 (JP) 2010-01-21 — — WO disclosed
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