SCHEMBL9871460

SCHEMBL9871460

CCOC(=O)C(=O)C1CCCN1C(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
ACE P12821 3/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 3/20 0.49
CTSS P25774 2/20 0.49
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ELANE P08246 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CAPN1 P07384 2/20 0.47
CTSK P43235 2/20 0.46
CMA1 P23946 1/20 0.46

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
SCHEMBL9871449 1.00 PREP (0.52) PREPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9871454 1.00 PREP (0.52) PREPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9871484 0.93 CAPN1 (0.54) PREPACECTSLCTSBLMNA
SCHEMBL9872158 0.93 CAPN1 (0.54) PREPACECTSLCTSBLMNA
SCHEMBL10775507 0.93 PREP (0.55) PREPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10775495 0.93 PREP (0.55) PREPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10775501 0.93 PREP (0.55) PREPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14067705 0.91 PREP (0.53) PREPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8331221 0.90 ACE (0.60) PREPCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20484652 0.90 ACE (0.60) PREPCYP3A4CYP2D6CYP2C9CYP2C19

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-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