SCHEMBL9872401

SCHEMBL9872401

CC[C@@H](O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.61
ACE2 Q9BYF1 3/20 0.54
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CTRB1 P17538 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KMT2A Q03164 1/20 0.49
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49

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
SCHEMBL9872394 1.00 PREP (0.61) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL9872924 0.91 PREP (0.76) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL9872921 0.91 PREP (0.76) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL9872918 0.91 PREP (0.76) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL10774349 0.91 PREP (0.59) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL9872311 0.91 PREP (0.59) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL10774336 0.91 PREP (0.59) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL9872307 0.91 PREP (0.59) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL7836712 0.88 PREP (0.64) PREPACE2TSHRL3MBTL1KDM4E
SCHEMBL9873735 0.88 PREP (0.64) PREPACE2TSHRL3MBTL1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051444-A Pyrrolidine derivatives as anti-amnesia agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-09-24 US disclosed
US-4880827-A Pyrrolidine derivatives having inhibitory action for proline specific endopepidase SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1989-11-14 US disclosed
EP-0238319-A1 Pyrrolidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-09-23 EP disclosed