SCHEMBL7302355

SCHEMBL7302355

O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)C[S+]([O-])c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PREP P48147 2/20 0.43
F2 P00734 3/20 0.41
ACE P12821 3/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL7302362 1.00 MEN1 (0.45) MEN1NPC1RAB9AKMT2APREP
SCHEMBL7301163 0.83 MEN1 (0.48) MEN1NPC1RAB9AKMT2APREP
SCHEMBL7301151 0.83 MEN1 (0.48) MEN1NPC1RAB9AKMT2APREP
SCHEMBL7309334 0.82 PREP (0.65) RAB9AKMT2APREP
SCHEMBL7308507 0.82 PREP (0.65) RAB9AKMT2APREP
SCHEMBL7297939 0.82 PREP (0.65) RAB9AKMT2APREP
SCHEMBL7297933 0.82 PREP (0.65) RAB9AKMT2APREP
SCHEMBL7297462 0.81 MEN1 (0.49) MEN1NPC1RAB9AKMT2APREP
SCHEMBL7297456 0.81 MEN1 (0.49) MEN1NPC1RAB9AKMT2APREP
SCHEMBL7297823 0.80 PREP (0.38) MEN1KMT2APREP

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-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed