SCHEMBL9872387

SCHEMBL9872387

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.59
KMT2A Q03164 1/20 0.55
ACE2 Q9BYF1 3/20 0.53
CTRB1 P17538 1/20 0.52
KLK7 P49862 1/20 0.50
KLK5 Q9Y337 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9872379 1.00 PREP (0.59) PREPKMT2AACE2CTRB1KLK7
SCHEMBL19258607 0.88 PREP (0.63) PREPKMT2AACE2CTRB1KLK7
SCHEMBL3536343 0.87 CYP2D6 (0.50) PREPNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7375418 0.86 PREP (0.60) PREPKMT2AACE2CTRB1KLK7
SCHEMBL7836712 0.86 PREP (0.64) PREPKMT2AACE2CTRB1KLK7
SCHEMBL9873735 0.86 PREP (0.64) PREPKMT2AACE2CTRB1KLK7
SCHEMBL13532966 0.85 PREP (0.65) PREPKMT2AACE2CTRB1KLK7
SCHEMBL8272821 0.85 PREP (0.65) PREPKMT2AACE2CTRB1KLK7
SCHEMBL9872401 0.84 PREP (0.61) PREPKMT2AACE2CTRB1KLK7
SCHEMBL9872394 0.84 PREP (0.61) PREPKMT2AACE2CTRB1KLK7

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