SCHEMBL8019729

SCHEMBL8019729

CCC(C)C(NC=O)C(=O)N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 2/20 0.33
DAGLB Q8NCG7 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7405329 0.84 ALDH1A1 (0.37) ALDH1A1CNR1DAGLBDAGLAADH1B
SCHEMBL18098723 0.77 ALDH1A1 (0.40) ALDH1A1CNR1DAGLBDAGLAADH1B
SCHEMBL9825702 0.77 ALDH1A1 (0.53) ALDH1A1ADH1BADH1CADH1AL3MBTL1
SCHEMBL2377592 0.77 ALDH1A1 (0.53) ALDH1A1ADH1BADH1CADH1AL3MBTL1
SCHEMBL16623913 0.77 ALDH1A1 (0.40) ALDH1A1CNR1DAGLBDAGLAADH1B
SCHEMBL16623912 0.77 ALDH1A1 (0.40) ALDH1A1CNR1DAGLBDAGLAADH1B
SCHEMBL16623911 0.77 ALDH1A1 (0.40) ALDH1A1CNR1DAGLBDAGLAADH1B
SCHEMBL2377589 0.77 ALDH1A1 (0.53) ALDH1A1ADH1BADH1CADH1AL3MBTL1
SCHEMBL16623919 0.77 ALDH1A1 (0.40) ALDH1A1CNR1DAGLBDAGLAADH1B
SCHEMBL8020557 0.76 ENPEP (0.39) ALDH1A1CNR1DAGLBDAGLAADH1B

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 8 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
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