SCHEMBL8159989

SCHEMBL8159989

O=C([C@H]1CCCN1C(=O)CCCc1ccccc1)N1CCSC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.64
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL8152361 1.00 PREP (0.64) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL6285952 0.86 PREP (0.65) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL6285958 0.86 PREP (0.65) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL10517406 0.86 PREP (0.63) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL10517399 0.86 PREP (0.63) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL10339417 0.84 PREP (0.65) PREPMEN1NPC1RAB9AKMT2A
SCHEMBL5741647 0.84 MEN1 (0.63) MEN1NPC1RAB9AKMT2A
SCHEMBL7330019 0.84 MEN1 (0.63) MEN1NPC1RAB9AKMT2A
SCHEMBL5741652 0.84 MEN1 (0.63) MEN1NPC1RAB9AKMT2A
SCHEMBL7302071 0.83 PREP (0.62) PREP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017929-A Cholinesterase activator ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0754454-A1 CHOLINESTERASE ACTIVATOR ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-22 EP disclosed