SCHEMBL9872222

SCHEMBL9872222

O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1C1OCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 1.00
KLK7 P49862 2/20 0.56
KLK5 Q9Y337 1/20 0.56
CTRB1 P17538 1/20 0.53
HSD17B10 Q99714 1/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GFER P55789 1/20 0.50

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
SCHEMBL9873062 0.91 PREP (0.83) PREPKLK7KLK5CTRB1HSD17B10
SCHEMBL30872637 0.87 PREP (0.77) PREPKLK7KLK5HSD17B10NPSR1
SCHEMBL17459445 0.83 PREP (0.71) PREPKLK7KLK5CTRB1HSD17B10
SCHEMBL20678314 0.83 PREP (0.71) PREPKLK7KLK5CTRB1HSD17B10
SCHEMBL17459415 0.83 PREP (0.71) PREPKLK7KLK5CTRB1HSD17B10
SCHEMBL17459413 0.83 PREP (0.71) PREPKLK7KLK5CTRB1HSD17B10
SCHEMBL9554796 0.83 PREP (0.71) PREPKLK7KLK5CTRB1HSD17B10
SCHEMBL18093534 0.83 PREP (0.71) PREPKLK7KLK5CTRB1HSD17B10
SCHEMBL11262909 0.82 PREP (0.69) PREPKLK7KLK5CTRB1HSD17B10
SCHEMBL11262912 0.82 PREP (0.69) PREPKLK7KLK5CTRB1HSD17B10

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