SCHEMBL21043497

SCHEMBL21043497

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)N=O)c(F)c3)cc2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.40
IKBKE Q14164 4/20 0.37
TBK1 Q9UHD2 4/20 0.37
SCN7A Q01118 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
CHRM4 P08173 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL15538652 0.91 XDH (0.45) XDHIKBKETBK1CHRM4CHRM2
SCHEMBL16757795 0.89 XDH (0.42) XDHIKBKETBK1
SCHEMBL20053622 0.88 XDH (0.41) XDHIKBKETBK1
SCHEMBL15559047 0.85 MTOR (0.41) XDH
SCHEMBL15559048 0.85 MTOR (0.41) XDH
SCHEMBL16777192 0.84 PIK3CA (0.42) XDHIKBKETBK1
SCHEMBL16777175 0.84 PIK3CA (0.42) XDH
SCHEMBL15540099 0.84 PIK3CA (0.42) XDH
SCHEMBL16777195 0.84 PIK3CA (0.42) XDHIKBKETBK1
SCHEMBL20053621 0.83 XDH (0.37) XDHIKBKETBK1

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
EP-3074384-B1 AMIDE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-05-22 EP disclosed