SCHEMBL10521239

SCHEMBL10521239

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)C(CCCCc1ccccc1)Cc1cccc2ccccc12.[N-]=[N+]=N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.48
▸ MME P08473 2/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ ERAP2 Q6P179 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ MMP9 P14780 2/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ SIGMAR1 Q99720 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
SCHEMBL10522083 0.88 HRH4 (0.45) HRH4ANPEPERAP2ERAP1KMT2A
SCHEMBL10520319 0.88 HRH4 (0.44) HRH4ANPEPERAP2ERAP1MMP1
SCHEMBL10570975 0.87 HRH4 (0.47) HRH4MMEACECPA1ACE2
SCHEMBL10570967 0.87 HRH4 (0.47) HRH4MMEACECPA1ACE2
SCHEMBL8481391 0.84 HRH4 (0.64) HRH4MMEACECPA1ACE2
SCHEMBL8481380 0.84 HRH4 (0.64) HRH4MMEACECPA1ACE2
SCHEMBL10826534 0.84 MMP1 (0.48) MMEACECPA1ACE2MMP1
SCHEMBL8481892 0.84 HRH4 (0.56) HRH4MMEACECPA1ACE2
SCHEMBL8481399 0.84 HRH4 (0.56) HRH4MMEACECPA1ACE2
SCHEMBL8481408 0.84 HRH4 (0.56) 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 2 patents. 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
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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