SCHEMBL8019727

SCHEMBL8019727

CCC(C)C(N[C]=O)C(=O)N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL7405326 0.84 ALDH1A1 (0.37) ALDH1A1L3MBTL1CTSSCTSK
SCHEMBL8024023 0.77 ALDH1A1 (0.53) ALDH1A1L3MBTL1CTSSCTSK
SCHEMBL8016718 0.76 ENPEP (0.39) ALDH1A1HTTL3MBTL1CTSSCTSK
SCHEMBL5052005 0.76 ENPEP (0.39) ALDH1A1HTTL3MBTL1CTSSCTSK
SCHEMBL8019729 0.75 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8017536 0.74 POLB (0.41) ALDH1A1HTT
SCHEMBL7556071 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1CTSSCTSK
SCHEMBL5050524 0.70 ALDH1A1 (0.34) ALDH1A1L3MBTL1
SCHEMBL8933949 0.69 CTSK (0.57) HTTCTSSCTSK
SCHEMBL8933947 0.69 CTSK (0.57) HTTCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706532-B1 Peptides having endothelin antagonictic activity,their preparation and pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO (JP) 2000-02-02 EP disclosed
US-5888972-A ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-30 US disclosed
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed