SCHEMBL8938405

SCHEMBL8938405

O=C(c1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](Sc2ccccc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.46
GRIN2B Q13224 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CTRB1 P17538 1/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39

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
SCHEMBL8938556 0.86 PREP (0.60) PREPGRIN2BTSHRL3MBTL1KLK7
SCHEMBL8938606 0.86 PREP (0.46) PREPCTRB1KDM1ARCOR1
SCHEMBL8938518 0.85 PKM (0.41)
SCHEMBL8938544 0.84 PREP (0.48) PREPGRIN2BTSHRL3MBTL1KLK7
SCHEMBL8938432 0.80 PREP (0.48) PREPGRIN2BTSHRL3MBTL1KLK7
SCHEMBL8265528 0.78 PREP (0.46) PREPGRIN2BTSHRL3MBTL1KLK7
SCHEMBL10778848 0.75 ACE (0.52) PREP
SCHEMBL7343528 0.75 ACE (0.52) PREP
SCHEMBL10778850 0.75 ACE (0.52) PREP
SCHEMBL8938625 0.72 MEN1 (0.40)

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-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US claimed
US-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US disclosed