SCHEMBL29138899

SCHEMBL29138899

O=CN1CCOC[C@@H]1c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.36
PRKDC P78527 3/20 0.36
FFAR4 Q5NUL3 4/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
QPCT Q16769 1/20 0.34
GRM2 Q14416 1/20 0.34
EPHX2 P34913 2/20 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
SCHEMBL29138851 1.00 LRRK2 (0.39) LRRK2PIK3C3PRKDCFFAR4HCRTR1
SCHEMBL29138939 0.82 LMNA (0.36) HCRTR1HCRTR2EPHX2
SCHEMBL29138905 0.82 LMNA (0.36) HCRTR1HCRTR2EPHX2
SCHEMBL29138873 0.82 PRKDC (0.41) LRRK2PIK3C3PRKDCHCRTR1HCRTR2
SCHEMBL29138877 0.82 PRKDC (0.41) LRRK2PIK3C3PRKDCHCRTR1HCRTR2
SCHEMBL29138818 0.77 GRM2 (0.37) PIK3C3PRKDCFFAR4GRM2EPHX2
SCHEMBL29138853 0.77 GRM2 (0.37) PIK3C3PRKDCFFAR4GRM2EPHX2
SCHEMBL29138888 0.72 ALDH1A1 (0.39)
SCHEMBL29138847 0.72 ALDH1A1 (0.39)
SCHEMBL29138864 0.70 AR (0.36) PIK3C3EPHX2

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
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed