SCHEMBL28735052

SCHEMBL28735052

CCCCCCCCC=CCCCCCCCCC1=NCCN1CC(N)CN

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.33
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL9130850 0.82 EPHX2 (0.34) FAAH
SCHEMBL9130857 0.82 EPHX2 (0.34) FAAH
SCHEMBL217200 0.82 MGLL (0.35) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL7614182 0.82 MGLL (0.35) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL5678960 0.82 MGLL (0.35) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL17833441 0.82 MGLL (0.35) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL279136 0.82 MGLL (0.35) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL2289775 0.82 MGLL (0.35) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL8324253 0.82 FAAH (0.37) FAAHTRPV1
SCHEMBL8324251 0.82 FAAH (0.37) FAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456148-A Oil field corrosion inhibitor with good compatibility and preparation method thereof 中海油天津化工研究设计院有限公司 2022-05-10 CN disclosed