SCHEMBL29135537

SCHEMBL29135537

ClCc1nc2ccccc2n1C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
OPRM1 P35372 12/20 0.50
OPRK1 P41145 12/20 0.50
OGFRL1 Q5TC84 12/20 0.50
OPRD1 P41143 10/20 0.50
PRKACA P17612 2/20 0.50
RPS6KB1 P23443 2/20 0.50
GSK3B P49841 2/20 0.50
ROCK1 Q13464 2/20 0.50
OPRL1 P41146 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL30662377 1.00 TP53 (0.56) TP53OPRM1OPRK1OGFRL1OPRD1
SCHEMBL31267382 0.98 TP53 (0.54) TP53OPRM1OPRK1OGFRL1OPRD1
SCHEMBL4152829 0.92 KMT2A (0.53) TP53OPRM1OPRK1OGFRL1OPRD1
SCHEMBL31267392 0.86 OPRM1 (0.65) TP53OPRM1OPRK1OGFRL1OPRD1
SCHEMBL31267438 0.84 OPRM1 (0.67) TP53OPRM1OPRK1OGFRL1OPRD1
SCHEMBL31267395 0.81 MEN1 (0.43) TP53OPRM1OPRK1OGFRL1OPRD1
SCHEMBL8293608 0.81 OGFRL1 (0.53) TP53OPRM1OPRK1OGFRL1OPRD1
SCHEMBL15844799 0.79 OGFRL1 (0.81) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL15844800 0.79 OGFRL1 (0.81) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL15853832 0.79 OGFRL1 (0.81) OPRM1OPRK1OGFRL1OPRD1OPRL1

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-117101725-A Immobilized manganese catalyst and preparation method and application thereof 浙江工业大学 2023-11-24 CN disclosed