SCHEMBL7297939

SCHEMBL7297939

O=C(OCc1ccccc1)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(O)C[S+]([O-])c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.65
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 1/20 0.49
CTRB1 P17538 1/20 0.48
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CTSK P43235 1/20 0.45
GFER P55789 1/20 0.44

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
SCHEMBL7309334 1.00 PREP (0.65) PREPKLK7KLK5CTRB1KMT2A
SCHEMBL7297933 1.00 PREP (0.65) PREPKLK7KLK5CTRB1KMT2A
SCHEMBL7308507 1.00 PREP (0.65) PREPKLK7KLK5CTRB1KMT2A
SCHEMBL7304657 0.94 PREP (0.62) PREPKLK7KLK5CTRB1KMT2A
SCHEMBL7304660 0.94 PREP (0.62) PREPKLK7KLK5CTRB1KMT2A
SCHEMBL7304654 0.94 PREP (0.62) PREPKLK7KLK5CTRB1KMT2A
SCHEMBL7300607 0.92 PREP (0.58) PREPKLK7KLK5CTRB1KMT2A
SCHEMBL7305860 0.92 PREP (0.63) PREPKLK7KLK5CTRB1KMT2A
SCHEMBL7297811 0.92 PREP (0.63) PREPKLK7KLK5CTRB1KMT2A
SCHEMBL7297805 0.92 PREP (0.63) PREPKLK7KLK5CTRB1KMT2A

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