SCHEMBL8938544

SCHEMBL8938544

O=C(OCc1ccccc1)N1C[C@H](Sc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]1C(O)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.48
GRIN2B Q13224 1/20 0.41
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
HTT P42858 1/20 0.38
CTRB1 P17538 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8938405 0.84 PREP (0.46) PREPGRIN2BKLK7KLK5CTRB1
SCHEMBL8938606 0.75 PREP (0.46) PREPCTRB1
SCHEMBL7343528 0.74 ACE (0.52) PREPKMT2A
SCHEMBL10778848 0.74 ACE (0.52) PREPKMT2A
SCHEMBL10778850 0.74 ACE (0.52) PREPKMT2A
SCHEMBL3408366 0.70 GRIN2B (0.57) GRIN2BKMT2A
SCHEMBL7394112 0.69 POLB (0.46) PREPTSHRL3MBTL1KMT2A
SCHEMBL7302338 0.69 PREP (0.67) PREPKLK7KLK5CTRB1TSHR
SCHEMBL7302343 0.69 PREP (0.67) PREPKLK7KLK5CTRB1TSHR
SCHEMBL8938556 0.69 PREP (0.60) PREPGRIN2BKLK7KLK5CTRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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