SCHEMBL10751443

SCHEMBL10751443

CN(C)C(=O)CC(Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O.[N-]=[N+]=N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.45
▸ MME P08473 4/20 0.42
▸ ACE P12821 2/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ REN P00797 3/20 0.41
▸ MMP9 P14780 3/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ ECE1 P42892 3/20 0.37
▸ MMP14 P50281 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL10750427 0.88 HRH4 (0.45) HRH4MMEACECPA1ACE2
SCHEMBL10748375 0.88 REN (0.43) HRH4MMEACECPA1ACE2
SCHEMBL8481892 0.85 HRH4 (0.56) HRH4MMEACECPA1ACE2
SCHEMBL8481399 0.85 HRH4 (0.56) HRH4MMEACECPA1ACE2
SCHEMBL8481408 0.85 HRH4 (0.56) HRH4MMEACECPA1ACE2
SCHEMBL10748105 0.84 REN (0.43) HRH4MMEACECPA1ACE2
SCHEMBL10570975 0.84 HRH4 (0.47) HRH4MMEACECPA1ACE2
SCHEMBL10570967 0.84 HRH4 (0.47) HRH4MMEACECPA1ACE2
SCHEMBL10749770 0.84 REN (0.44) HRH4MMEACECPA1ACE2
SCHEMBL10521239 0.83 HRH4 (0.48) HRH4MMEACECPA1ACE2

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-4656269-A RENIN INHIBITORY EFFECT WHEN ADMINISTERING ORALLY; HYPOTENSIVE AGENTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1987-04-07 — — US disclosed
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