SCHEMBL29173115

SCHEMBL29173115

COc1cccc([C@H](C(N)=O)N(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
AOC3 Q16853 3/20 0.52
PARP1 P09874 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ACHE P22303 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL29173116 1.00 TRPM8 (0.57) TRPM8L3MBTL1AOC3PARP1TDP1
SCHEMBL29173105 0.86 TDP1 (0.53) TRPM8L3MBTL1AOC3TDP1ACHE
SCHEMBL7255555 0.86 AOC3 (0.50) TRPM8L3MBTL1AOC3PARP1TDP1
SCHEMBL29173106 0.86 TDP1 (0.53) TRPM8L3MBTL1AOC3TDP1ACHE
Hydrochloric Acid SCHEMBL7255547 0.84 TDP1 (0.49) TRPM8L3MBTL1AOC3TDP1ACHE
SCHEMBL11928257 0.80 ALOX5 (0.50) TRPM8AOC3PARP1CES2CES1
SCHEMBL25226434 0.79 L3MBTL1 (0.65) TRPM8L3MBTL1AOC3PARP1CES2
SCHEMBL5527572 0.79 L3MBTL1 (0.65) TRPM8L3MBTL1AOC3PARP1CES2
SCHEMBL6390839 0.79 L3MBTL1 (0.60) TRPM8L3MBTL1AOC3PARP1CES2
SCHEMBL11483148 0.79 L3MBTL1 (0.65) TRPM8L3MBTL1AOC3PARP1CES2

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-117480161-A Novel 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives as sigma ligands 塔拉森调理公司 2024-01-30 CN disclosed