SCHEMBL17833430

SCHEMBL17833430

CCCCCCCC/C=C\CCCCCCCC1=NCCN1CCNCCNCCN

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
SLC6A5 Q9Y345 2/20 0.33
PPARA Q07869 2/20 0.32
FAAH O00519 3/20 0.32
TRPV1 Q8NER1 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL10598902 0.94 FAAH (0.36) EPHX2PPARAFAAHTRPV1MGLL
SCHEMBL10579933 0.92 ACE2 (0.38) ACE2
SCHEMBL1029410 0.92 ACE2 (0.38) ACE2
SCHEMBL10578535 0.92 ACE2 (0.38) ACE2
SCHEMBL5678960 0.88 MGLL (0.35) FAAHTRPV1MGLL
SCHEMBL7614182 0.88 MGLL (0.35) FAAHTRPV1MGLL
SCHEMBL2289775 0.88 MGLL (0.35) FAAHTRPV1MGLL
SCHEMBL279136 0.88 MGLL (0.35) FAAHTRPV1MGLL
SCHEMBL17833441 0.88 MGLL (0.35) FAAHTRPV1MGLL
SCHEMBL217200 0.88 MGLL (0.35) FAAHTRPV1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230398-B1 LIQUID INHIBITOR COMPOSITION AND A METHOD FOR ITS PREPARATION AND APPLICATION AS A HEAVY BRINE CORROSION CONTROL CLARIANT INT LTD (CH) 2019-08-14 EP disclosed
US-20170342310-A1 Liquid Inhibitor Composition And A Method For Its Preparation And Application As A Heavy Brine Corrosion Control CLARIANT INTERNATIONAL, LTD. (CH) 2017-11-30 US disclosed
WO-2016092010-A1 LIQUID INHIBITOR COMPOSITION AND A METHOD FOR ITS PREPARATION AND APPLICATION AS A HEAVY BRINE CORROSION CONTROL CLARIANT INTERNATIONAL LTD (CH) 2016-06-16 WO disclosed