SCHEMBL8610686

SCHEMBL8610686

CN(C)C(=O)C(NC=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 3/20 0.35
ADH1A P07327 3/20 0.35
ADH1B P00325 2/20 0.35
ADH4 P08319 1/20 0.35
LMNA P02545 1/20 0.34
EPHX1 P07099 4/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
HPGD P15428 1/20 0.33
ADH7 P40394 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 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
SCHEMBL9162031 0.78 ADH1B (0.40) ADH1CADH1AADH1BADH4LMNA
SCHEMBL21904473 0.77 TP53 (0.42) ADH1CADH1AADH1BADH4LMNA
SCHEMBL8498929 0.76 HPGD (0.36) EPHX1CA12CA1CA2MMP2
SCHEMBL3666947 0.76 ADH1B (0.38) ADH1CADH1AADH1BADH4LMNA
SCHEMBL14233323 0.75 TUBB1 (0.52) ITGB3ITGB1ITGAVITGA5
SCHEMBL14210657 0.75 TUBB1 (0.52) ITGB3ITGB1ITGAVITGA5
SCHEMBL16313015 0.74 EPHX1 (0.31) LMNAEPHX1ITGB3ITGB1ITGAV
SCHEMBL14210658 0.73 TUBB1 (0.50)
SCHEMBL3217851 0.70 AAK1 (0.44) EPHX1CA1CA2
SCHEMBL3217846 0.70 AAK1 (0.44) EPHX1CA1CA2

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