SCHEMBL8614628

SCHEMBL8614628

CCCCCCN([C]=O)C(=O)NC(C)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.38
PLA2G5 P39877 3/20 0.38
PLA2G10 O15496 3/20 0.37
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP8 P22894 1/20 0.35
EPHX1 P07099 2/20 0.34
MMP3 P08254 3/20 0.33
MMP9 P14780 2/20 0.33
PSMB5 P28074 2/20 0.33
CTSK P43235 1/20 0.31
MMP1 P03956 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
SCHEMBL8976800 0.98 PLA2G2A (0.35) PLA2G2APLA2G5PLA2G10MEN1FAAH
SCHEMBL6830439 0.78 MEN1 (0.42) MEN1FAAHMAPK1KMT2AMMP8
SCHEMBL8614630 0.77 PLA2G2A (0.38) PLA2G2APLA2G5PLA2G10MEN1FAAH
SCHEMBL965005 0.76 EPHX1 (0.39) EPHX1
SCHEMBL29055799 0.74 FAAH (0.44) FAAHEPHX1
SCHEMBL7684377 0.71 EPHX1 (0.47) FAAHEPHX1
SCHEMBL10925540 0.70 DNM1 (0.39) MEN1KMT2A
SCHEMBL1401294 0.70 GPR84 (0.41) MEN1KMT2A
SCHEMBL1400991 0.68 AKR1B1 (0.39) MEN1KMT2A
SCHEMBL7674452 0.68 FAAH (0.50) FAAHKMT2A

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
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
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
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