SCHEMBL14101233

SCHEMBL14101233

C[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ncccc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
POLB P06746 1/20 0.37
GRM5 P41594 2/20 0.37
GRM1 Q13255 2/20 0.37
GPR119 Q8TDV5 6/20 0.36
SSTR4 P31391 1/20 0.35
DTYMK P23919 1/20 0.35
FNTA P49354 4/20 0.34
FNTB P49356 4/20 0.34
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 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
SCHEMBL15888923 0.82 GRM5 (0.34) SCN9APOLBGRM5GRM1GPR119
SCHEMBL2447629 0.82 GRM5 (0.37) SCN9APOLBGRM5GRM1GPR119
SCHEMBL245192 0.82 GRM5 (0.37) SCN9APOLBGRM5GRM1GPR119
SCHEMBL27482569 0.80 KLK7 (0.38) SCN9APOLB
SCHEMBL4706811 0.80 KLK7 (0.38) SCN9APOLB
SCHEMBL15999868 0.80 POLB (0.40) SCN9APOLBGRM5GRM1GPR119
SCHEMBL31654621 0.74 POLB (0.47) POLBGRM5GRM1GPR119DTYMK
SCHEMBL25889533 0.74 POLB (0.47) POLBGRM5GRM1GPR119DTYMK
SCHEMBL14199221 0.74 ELANE (0.44) GPR119
SCHEMBL9924398 0.74 ELANE (0.44) GPR119

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-1221445-B1 PENTACYCLIC TAXANE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2008-08-20 EP disclosed