SCHEMBL9873062

SCHEMBL9873062

O=C(OCc1ccccc1)N1CCCC1C1OCCO1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.83
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 1/20 0.53
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ACE2 Q9BYF1 2/20 0.51
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTRB1 P17538 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TSHR P16473 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
SCHEMBL30872637 0.96 PREP (0.77) PREPKLK7KLK5NPSR1MEN1
SCHEMBL9872222 0.91 PREP (1.00) PREPKLK7KLK5NPSR1KMT2A
SCHEMBL15817600 0.82 PREP (0.58) PREPKLK7KLK5NPSR1MEN1
SCHEMBL20653871 0.82 PREP (0.61) PREPKLK7KLK5NPSR1MEN1
SCHEMBL20654187 0.82 PREP (0.61) PREPKLK7KLK5NPSR1MEN1
SCHEMBL31323701 0.81 PREP (0.57) PREPKLK7KLK5NPSR1MEN1
SCHEMBL5940389 0.80 PREP (0.59) PREPKLK7KLK5NPSR1MEN1
SCHEMBL5940103 0.80 PREP (0.59) PREPKLK7KLK5NPSR1MEN1
SCHEMBL3049973 0.80 PREP (0.58) PREPKLK7KLK5NPSR1KMT2A
SCHEMBL6358373 0.79 PREP (0.57) PREPKLK7KLK5NPSR1MEN1

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