SCHEMBL7383353

SCHEMBL7383353

COc1ccc(COC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)cc1.[N-]=[N+]=N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ ITGB3 P05106 13/20 0.44
▸ ITGA2B P08514 13/20 0.44
▸ HDAC8 Q9BY41 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ ITGB7 P26010 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ ITGAV P06756 1/20 0.41

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
SCHEMBL9830940 0.94 ATM (0.53) ATMITGB3ITGA2BHDAC8ITGA4
SCHEMBL9830929 0.94 ATM (0.53) ATMITGB3ITGA2BHDAC8ITGA4
SCHEMBL7263839 0.89 ITGB3 (0.48) ITGB3ITGA2BCTSLCTSSITGAV
SCHEMBL7382971 0.87 ATM (0.48) ATMITGB3ITGA2BHDAC8CTSL
SCHEMBL7385168 0.83 HDAC8 (0.47) ATMITGB3ITGA2BHDAC8CTSL
SCHEMBL24795018 0.82 ITGB3 (0.53) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL4178755 0.82 ITGB3 (0.53) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL254638 0.82 ITGB3 (0.53) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL7374762 0.81 MMP3 (0.43) ITGB3ITGA2BHDAC8CTSLCTSS
SCHEMBL10477854 0.79 CTSK (0.50) ATMHDAC8CTSLCTSSCTSK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4870183-A RENIN INHIBITORS, HYPOTENSIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 — — US disclosed
US-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
US-4857650-A Novel renin inhibitory amino acid derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 — — US disclosed
EP-0252727-A1 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1988-01-13 — — EP disclosed
EP-0206807-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-12-30 — — EP disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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