SCHEMBL10748522

SCHEMBL10748522

CCNC(=O)CC(Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ MMP8 P22894 2/20 0.46
▸ REN P00797 15/20 0.44
▸ HRH4 Q9H3N8 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL10522999 0.89 KMT2A (0.44) MMP2MMP9MMP8RENHRH4
SCHEMBL10750427 0.88 HRH4 (0.45) MMP2MMP9MMP8RENHRH4
SCHEMBL10748375 0.88 REN (0.43) MMP2MMP9MMP8RENHRH4
SCHEMBL8485799 0.87 CTSS (0.46) MMP2MMP9MMP8RENHRH4
SCHEMBL8485801 0.87 CTSS (0.46) MMP2MMP9MMP8RENHRH4
SCHEMBL10751142 0.84 REN (0.47) MMP2MMP9MMP8RENHRH4
SCHEMBL10753464 0.83 REN (0.48) MMP2MMP9MMP8RENHRH4
SCHEMBL8481701 0.83 REN (0.43) MMP2MMP9MMP8RENHRH4
SCHEMBL8481703 0.83 REN (0.43) MMP2MMP9MMP8RENHRH4
SCHEMBL8484193 0.82 MMP2 (0.55) MMP2MMP9MMP8RENHRH4

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-4656269-A RENIN INHIBITORY EFFECT WHEN ADMINISTERING ORALLY; HYPOTENSIVE AGENTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1987-04-07 — — US disclosed
EP-0200406-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-11-05 — — EP disclosed
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