SCHEMBL7309249

SCHEMBL7309249

O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.59
CTRB1 P17538 1/20 0.45
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.42
CTSK P43235 1/20 0.41
PRCP P42785 1/20 0.41
GFER P55789 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
SCHEMBL7309254 1.00 PREP (0.59) PREPCTRB1TSHRL3MBTL1KMT2A
SCHEMBL7302343 0.91 PREP (0.67) PREPCTRB1TSHRL3MBTL1KMT2A
SCHEMBL7302338 0.91 PREP (0.67) PREPCTRB1TSHRL3MBTL1KMT2A
SCHEMBL7299336 0.87 PREP (0.65) PREPCTRB1TSHRL3MBTL1KMT2A
SCHEMBL7299331 0.87 PREP (0.65) PREPCTRB1TSHRL3MBTL1KMT2A
SCHEMBL7300607 0.84 PREP (0.58) PREPCTRB1TSHRL3MBTL1KMT2A
SCHEMBL7300618 0.84 PREP (0.58) PREPCTRB1TSHRL3MBTL1KMT2A
SCHEMBL7301666 0.82 PREP (0.70) PREPCTRB1TSHRL3MBTL1KMT2A
SCHEMBL7301658 0.82 PREP (0.70) PREPCTRB1TSHRL3MBTL1KMT2A
SCHEMBL9872924 0.82 PREP (0.76) PREPCTRB1TSHRL3MBTL1KMT2A

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