SCHEMBL10523789

SCHEMBL10523789

O=C(CC(=Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)NCc1cccc2ccccc12.[N-]=[N+]=N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ MME P08473 2/20 0.34
▸ ACE P12821 2/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ PSMB8 P28062 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32

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
SCHEMBL10521853 0.88 SMN1; SMN2 (0.36) PSMB8PSMB5SMN1; SMN2ANPEPCTSS
SCHEMBL10522976 0.82 ANPEP (0.40) PSMB8PSMB5MMP9MMP8MMP14
SCHEMBL10750427 0.78 HRH4 (0.45) HRH4MMEACECPA1ACE2
SCHEMBL10519260 0.77 GAA (0.38) HRH4PIN1MMEACECPA1
SCHEMBL10570975 0.75 HRH4 (0.47) HRH4MMEACECPA1ACE2
SCHEMBL10570967 0.75 HRH4 (0.47) HRH4MMEACECPA1ACE2
SCHEMBL10751443 0.74 HRH4 (0.45) HRH4MMEACECPA1ACE2
SCHEMBL8481892 0.74 HRH4 (0.56) HRH4PIN1MMEACECPA1
SCHEMBL8481399 0.74 HRH4 (0.56) HRH4PIN1MMEACECPA1
SCHEMBL8481408 0.74 HRH4 (0.56) HRH4PIN1MMEACECPA1

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-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
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