SCHEMBL13460387

SCHEMBL13460387

CC(C)[C@@](O)(CN=[N+]=[N-])c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 14/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ GRM2 Q14416 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL15864646 0.83 DUT (0.47) DUTIDO1TDO2GRM2
SCHEMBL29363809 0.83 DUT (0.47) DUTIDO1TDO2GRM2
SCHEMBL17492963 0.83 DUT (0.47) DUTIDO1TDO2GRM2
SCHEMBL15864648 0.80 DUT (0.39) DUTIDO1TDO2GRM2
SCHEMBL21325251 0.76 DUT (0.45) DUTIDO1TDO2GRM2
SCHEMBL20188078 0.76 DUT (0.41) DUTIDO1TDO2GRM2
SCHEMBL20204783 0.74 DUT (0.53) DUTIDO1TDO2GRM2
SCHEMBL20347946 0.73 DUT (0.46) DUTIDO1TDO2GRM2
SCHEMBL16891348 0.73 DUT (0.46) DUTIDO1TDO2GRM2
SCHEMBL2304488 0.71 SCN8A (0.43) DUTIDO1GRM2

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-2010023946-A1 NOVEL URACIL COMPOUND HAVING NITROGENATED HETEROCYCLIC RING OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2010-03-04 — — WO disclosed
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