SCHEMBL28038417

SCHEMBL28038417

CCCCCCCC/C=C\CCCCCCCC(=O)NC(=O)C(N)CCCCN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.62
GNAI3 P08754 1/20 0.56
GNAO1 P09471 1/20 0.56
GNAI1 P63096 1/20 0.56
FAAH O00519 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
SOAT1 P35610 1/20 0.48
CNR2 P34972 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
DEGS1 O15121 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
EPHX2 P34913 2/20 0.45

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
SCHEMBL5491543 0.92 GNAI3 (0.64) SLC6A5GNAI3GNAO1GNAI1MEN1
SCHEMBL4647979 0.92 GNAI3 (0.64) SLC6A5GNAI3GNAO1GNAI1MEN1
SCHEMBL4647986 0.92 GNAI3 (0.64) SLC6A5GNAI3GNAO1GNAI1MEN1
SCHEMBL15798737 0.82 GNAI3 (0.84) SLC6A5GNAI3GNAO1GNAI1DPP8
SCHEMBL15798735 0.82 GNAI3 (0.84) SLC6A5GNAI3GNAO1GNAI1DPP8
SCHEMBL17084282 0.81 NOD1 (0.68) SLC6A5GNAI3GNAO1GNAI1
SCHEMBL17084283 0.81 NOD1 (0.68) SLC6A5GNAI3GNAO1GNAI1
SCHEMBL22471671 0.80 FAAH (0.55) SLC6A5FAAHMEN1KMT2ACYP1A2
SCHEMBL4815645 0.80 FAAH (0.55) SLC6A5FAAHMEN1KMT2ACYP1A2
SCHEMBL20414960 0.80 SLC6A5 (0.70) SLC6A5FAAHMEN1KMT2ATP53

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-105188673-A Formulations and carrier systems including compound interactive domains UNIV PITTSBURGH 2015-12-23 CN disclosed