SCHEMBL5040925

SCHEMBL5040925

CCOc1cc(OC2CCN(C(=O)O)CC2)c(F)c(C(OC)C(=O)NCc2ccc(C#N)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.43
SCN5A Q14524 3/20 0.38
SCN9A Q15858 3/20 0.38
EPHX2 P34913 1/20 0.38
PRKAA2 P54646 7/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
PRKAB2 O43741 3/20 0.37
PRKAG1 P54619 3/20 0.37
PRKAA1 Q13131 3/20 0.37
PRKAG3 Q9UGI9 3/20 0.37
PRKAG2 Q9UGJ0 3/20 0.37
PRKAB1 Q9Y478 3/20 0.37
GPR119 Q8TDV5 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR6 P46095 2/20 0.35
MLNR O43193 1/20 0.35
PRLHR P49683 1/20 0.35

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
SCHEMBL5041282 0.92 F10 (0.49) F10EPHX2PRKAA2SLC1A3SLC1A2
SCHEMBL5041286 0.92 F10 (0.49) F10EPHX2PRKAA2SLC1A3SLC1A2
SCHEMBL5040944 0.90 GPR119 (0.50) F10GPR119
SCHEMBL5045638 0.89 F10 (0.39) F10
SCHEMBL5045642 0.89 F10 (0.39) F10
SCHEMBL5042467 0.88 KMT2A (0.43) F10MAPT
SCHEMBL5042471 0.88 KMT2A (0.43) F10MAPT
SCHEMBL5041195 0.85 MEN1 (0.39) EPHX2
SCHEMBL5041188 0.85 MEN1 (0.39) EPHX2
Hydrochloric Acid SCHEMBL5043576 0.81 F10 (0.57) F10

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed