SCHEMBL20204783

SCHEMBL20204783

CCC(O)(CC)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 11/20 0.53
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ GRM2 Q14416 2/20 0.37
▸ ROCK2 O75116 2/20 0.37

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
SCHEMBL21324997 0.93 DUT (0.51) DUTIDO1TDO2RIPK1GRM2
SCHEMBL20188353 0.92 DUT (0.50) DUTIDO1TDO2GRM2ROCK2
SCHEMBL21315522 0.92 DUT (0.50) DUTIDO1TDO2GRM2ROCK2
SCHEMBL13539468 0.90 DUT (0.55) DUTIDO1TDO2ROCK2
SCHEMBL29387080 0.88 DUT (0.54) DUT
SCHEMBL16891348 0.88 DUT (0.46) DUTIDO1TDO2RIPK1GRM2
SCHEMBL29363809 0.87 DUT (0.47) DUTIDO1TDO2GRM2ROCK2
SCHEMBL15864646 0.87 DUT (0.47) DUTIDO1TDO2GRM2ROCK2
SCHEMBL17492963 0.87 DUT (0.47) DUTIDO1TDO2GRM2ROCK2
SCHEMBL20191222 0.86 DUT (0.52) 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-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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