SCHEMBL5018076

SCHEMBL5018076

O=C(NCc1cccc(-c2ccccc2)c1)Nc1cccc2c1cnn2C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.52
KDM4E B2RXH2 2/20 0.50
GSK3B P49841 1/20 0.50
ATG4B Q9Y4P1 1/20 0.47
AOC3 Q16853 2/20 0.44
NAMPT P43490 1/20 0.43
MAPK1 P28482 1/20 0.43
CFD P00746 2/20 0.43
IKBKB O14920 1/20 0.43

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
SCHEMBL5016021 0.91 TRPV1 (0.52) TRPV1KDM4EGSK3BATG4BAOC3
SCHEMBL6438919 0.88 TRPV1 (0.50) TRPV1KDM4EGSK3BATG4BNAMPT
SCHEMBL5063857 0.82 MEN1 (0.56) TRPV1KDM4EGSK3BATG4B
SCHEMBL4019243 0.76 TRPV1 (0.70) TRPV1KDM4EGSK3B
SCHEMBL5017508 0.76 CLK4 (0.67) TRPV1
SCHEMBL4027136 0.74 TRPV1 (0.58) TRPV1KDM4EMAPK1
SCHEMBL5017555 0.73 TRPV1 (0.70) TRPV1
SCHEMBL1514314 0.72 KDM4E (0.84) TRPV1KDM4EGSK3BCFDIKBKB
SCHEMBL5016008 0.72 KDM4E (0.51) TRPV1KDM4EGSK3BATG4B
SCHEMBL2724934 0.70 TRPV1 (0.71) TRPV1

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
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 EP claimed