SCHEMBL7305097

SCHEMBL7305097

O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)COc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.68
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
CTRB1 P17538 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL7305103 1.00 PREP (0.68) PREPKDM4ELMNAKLK7KLK5
SCHEMBL7305865 0.93 PREP (0.68) PREPKDM4ELMNAKLK7KLK5
SCHEMBL7305856 0.93 PREP (0.68) PREPKDM4ELMNAKLK7KLK5
SCHEMBL10569063 0.88 PREP (0.51) PREPKDM4ELMNAKLK7KLK5
SCHEMBL9872921 0.87 PREP (0.76) PREPKDM4ELMNAKLK7KLK5
SCHEMBL9872924 0.87 PREP (0.76) PREPKDM4ELMNAKLK7KLK5
SCHEMBL9872918 0.87 PREP (0.76) PREPKDM4ELMNAKLK7KLK5
SCHEMBL9873047 0.84 PREP (0.75) PREPKDM4ELMNAKLK7KLK5
SCHEMBL9873052 0.84 PREP (0.75) PREPKDM4ELMNAKLK7KLK5
SCHEMBL9872359 0.84 PREP (0.75) PREPKDM4ELMNAKLK7KLK5

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