SCHEMBL8938626

SCHEMBL8938626

O=C(c1cccs1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.63
CTRB1 P17538 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 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
SCHEMBL9554796 0.83 PREP (0.71) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL20678314 0.83 PREP (0.71) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL17459445 0.83 PREP (0.71) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL17459415 0.83 PREP (0.71) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL18093534 0.83 PREP (0.71) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL17459413 0.83 PREP (0.71) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8938556 0.83 PREP (0.60) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8938639 0.82 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8160599 0.81 PREP (0.69) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL9739305 0.81 PREP (0.69) PREPCTRB1NPSR1TSHRL3MBTL1

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