SCHEMBL7305865

SCHEMBL7305865

COc1ccc(OCC(O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.68
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
CTRB1 P17538 1/20 0.47
CTSK P43235 1/20 0.45

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
SCHEMBL7305856 1.00 PREP (0.68) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL7305097 0.93 PREP (0.68) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL7305103 0.93 PREP (0.68) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL7299331 0.87 PREP (0.65) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL7299336 0.87 PREP (0.65) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL7297472 0.85 PREP (0.48) PREPALDH1A1LMNAKMT2AMEN1
SCHEMBL7297465 0.85 PREP (0.48) PREPALDH1A1LMNAKMT2AMEN1
SCHEMBL7297811 0.85 PREP (0.63) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL7297805 0.85 PREP (0.63) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL7305860 0.85 PREP (0.63) PREPNPSR1ALDH1A1KDM4ELMNA

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