SCHEMBL7382971

SCHEMBL7382971

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CTSL P07711 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ ALOX15 P16050 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ KYNU Q16719 1/20 0.41
▸ ITGB3 P05106 3/20 0.41
▸ ITGA2B P08514 3/20 0.41
▸ CACNA1B Q00975 1/20 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

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 0.92 ATM (0.53) ATMHDAC8ALDH1A1CTSLCTSS
SCHEMBL9830929 0.92 ATM (0.53) ATMHDAC8ALDH1A1CTSLCTSS
SCHEMBL7385168 0.89 HDAC8 (0.47) ATMHDAC8ALDH1A1CTSLCTSS
SCHEMBL29401219 0.89 ALDH1A1 (0.54) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL7383353 0.87 ATM (0.47) ATMHDAC8CTSLCTSSCTSK
SCHEMBL10521291 0.84 CTSK (0.50) ATMHDAC8CTSLCTSSCTSK
SCHEMBL9666956 0.83 CTSL (0.54) ALDH1A1CTSLCTSSCTSKALOX15
SCHEMBL9551368 0.83 CTSL (0.54) ALDH1A1CTSLCTSSCTSKALOX15
SCHEMBL9551274 0.83 CTSL (0.54) ALDH1A1CTSLCTSSCTSKALOX15
SCHEMBL27343926 0.83 CTSL (0.54) ALDH1A1CTSLCTSSCTSKALOX15

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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