SCHEMBL4079184

SCHEMBL4079184

O=C(O)CNCc1c[nH]c2ccccc12.O=C(O)c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.53
CCKBR P32239 3/20 0.51
MC5R P33032 2/20 0.46
MC1R Q01726 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
STAT3 P40763 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
SSTR3 P32745 1/20 0.42
MC3R P41968 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4079190 0.84 CCKBR (0.48) MGAMCCKBRMC5RMC1RBCHE
SCHEMBL250139 0.81 MC1R (0.60) MC5RMC1RMEN1MAPTKMT2A
SCHEMBL29874992 0.81 MC1R (0.60) MC5RMC1RMEN1MAPTKMT2A
SCHEMBL10518274 0.75 CCKBR (0.75) CCKBR
SCHEMBL29362407 0.73 MGAM (1.00) MGAMPDGFRBPDGFRARAB9AHSD17B10
SCHEMBL28048 0.73 MGAM (1.00) MGAMPDGFRBPDGFRARAB9AHSD17B10
Ammonia Solution, Strong SCHEMBL27447121 0.71 MGAM (0.96) MGAMPDGFRBPDGFRARAB9AHSD17B10
Hydrochloric Acid SCHEMBL9114407 0.71 MGAM (0.96) MGAMPDGFRBPDGFRARAB9AHSD17B10
Hydrochloric Acid SCHEMBL1649216 0.71 MGAM (0.96) MGAMPDGFRBPDGFRARAB9AHSD17B10
SCHEMBL27565246 0.71 MGAM (0.96) MGAMPDGFRBPDGFRARAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017004672-A1 PEPTIDYL TPOR ANTAGONISTS AND USES THEREOF POLYMERS CRC LIMITED (AU) 2017-01-12 WO disclosed
EP-2015766-A1 CYCLISED ALPHA-CONOTOXIN PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2009-01-21 EP disclosed
EP-1578787-A4 NOVEL CHI-CONOTOXIN PEPTIDES (-II) XENOME LTD (AU) 2008-09-24 EP disclosed
WO-2007118270-A1 CYCLISED ALPHA-CONOTOXIN PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2007-10-25 WO disclosed
EP-1578787-A1 NOVEL CHI-CONOTOXIN PEPTIDES (-II) Xenome Ltd (AU) 2005-09-28 EP disclosed
WO-2004099238-A1 NOVEL mu-CONOTOXIN PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2004-11-18 WO disclosed
WO-2004050688-A1 NOVEL χ-CONOTOXIN PEPTIDES (-II) XENOME LTD (AU) 2004-06-17 WO disclosed