SCHEMBL7385168

SCHEMBL7385168

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.47
▸ ATM Q13315 1/20 0.45
▸ CTSL P07711 4/20 0.44
▸ CTSS P25774 4/20 0.44
▸ CTSK P43235 3/20 0.44
▸ F2 P00734 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ITGB3 P05106 4/20 0.40
▸ ITGA2B P08514 4/20 0.40
▸ CTSB P07858 2/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ TPSAB1 Q15661 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 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
SCHEMBL7382971 0.89 ATM (0.48) HDAC8ATMCTSLCTSSCTSK
SCHEMBL9830940 0.89 ATM (0.53) HDAC8ATMCTSLCTSSCTSK
SCHEMBL9830929 0.89 ATM (0.53) HDAC8ATMCTSLCTSSCTSK
SCHEMBL7264470 0.87 TACR1 (0.51) CTSLCTSSCTSKCTSB
SCHEMBL10723569 0.87 TACR1 (0.51) CTSLCTSSCTSKCTSB
SCHEMBL10521291 0.84 CTSK (0.50) HDAC8ATMCTSLCTSSCTSK
SCHEMBL10633347 0.84 CTSL (0.53) CTSLCTSSCTSKCTSB
SCHEMBL7383353 0.83 ATM (0.47) HDAC8ATMCTSLCTSSCTSK
SCHEMBL10982059 0.82 CTSL (0.50) CTSLCTSSCTSKCTSB
SCHEMBL10477854 0.82 CTSK (0.50) HDAC8ATMCTSLCTSSCTSK

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 5 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-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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