SCHEMBL21078799

SCHEMBL21078799

Cc1cc(C(=O)O)cnc1OCC(C)(C)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
SSTR4 P31391 9/20 0.41
AAK1 Q2M2I8 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
AGBL2 Q5U5Z8 1/20 0.36
MAPT P10636 1/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL15350265 0.91 L3MBTL1 (0.42) L3MBTL1SSTR4AAK1CYP2C9CYP2C19
SCHEMBL2715676 0.90 L3MBTL1 (0.54) L3MBTL1SSTR4CYP2C9CYP2C19SCN9A
SCHEMBL21078902 0.86 AAK1 (0.39) L3MBTL1SSTR4AAK1CYP2C9CYP2C19
SCHEMBL21078750 0.85 L3MBTL1 (0.40) L3MBTL1SSTR4AAK1CYP2C9CYP2C19
SCHEMBL2714015 0.85 ALDH1A1 (0.43) L3MBTL1SSTR4AAK1CYP2C9CYP2C19
SCHEMBL15358626 0.83 L3MBTL1 (0.39) L3MBTL1SSTR4AAK1CYP2C9CYP2C19
SCHEMBL27150293 0.82 HCAR2 (0.37) L3MBTL1CYP2C9CYP2C19HCAR2AGBL2
SCHEMBL15350077 0.81 L3MBTL1 (0.41) L3MBTL1CYP2C9CYP2C19SCN9AHCAR2
SCHEMBL15350393 0.81 SCN9A (0.54) L3MBTL1SSTR4CYP2C9CYP2C19SCN9A
SCHEMBL15350967 0.80 SCN9A (0.40) L3MBTL1CYP2C9CYP2C19SCN9AHCAR2

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-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed