SCHEMBL4079190

SCHEMBL4079190

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.48
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
MC5R P33032 2/20 0.44
MC1R Q01726 2/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
STAT3 P40763 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
SSTR3 P32745 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MC3R P41968 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL4079184 0.84 MGAM (0.53) CCKBRBCHEACHEMC5RMC1R
SCHEMBL9715583 0.71 MGAM (0.69) KMT2ARAB9AALDH1A1SMN1; SMN2MGAM
SCHEMBL10518274 0.71 CCKBR (0.75) CCKBR
SCHEMBL7847985 0.69 KMT2A (0.58) MEN1MAPTKMT2ARAB9AALDH1A1
SCHEMBL250139 0.69 MC1R (0.60) MC5RMC1RMEN1MAPTKMT2A
SCHEMBL29874992 0.69 MC1R (0.60) MC5RMC1RMEN1MAPTKMT2A
SCHEMBL27664628 0.69 MGAM (0.65) KMT2ARAB9AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL26292984 0.68 MC1R (0.59) MC5RMC1RMEN1MAPTKMT2A
SCHEMBL7670308 0.67 POLB (0.59) CCKBRMC5RMC1RMEN1MAPT
SCHEMBL10638712 0.67 MGAM (0.61) KMT2ARAB9AALDH1A1SMN1; SMN2MGAM

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