SCHEMBL4023830

SCHEMBL4023830

O=C(NCc1ccc(Br)cc1)Nc1cccc2cnc(C(=O)O)cc12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.59
KDM4E B2RXH2 2/20 0.54
GSK3B P49841 1/20 0.54
ROS1 P08922 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4019256 0.89 TRPV1 (0.56) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL4024418 0.87 TRPV1 (0.61) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL5656769 0.86 TRPV1 (0.70) TRPV1KDM4EGSK3B
SCHEMBL6441156 0.86 TRPV1 (0.53) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL4030325 0.86 TRPV1 (0.60) TRPV1KDM4EGSK3B
SCHEMBL4029051 0.86 TRPV1 (0.70) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL4022743 0.86 TRPV1 (0.70) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL4023499 0.86 TRPV1 (0.69) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL4024915 0.80 TRPV1 (0.79) TRPV1ROS1RPS6KB1
SCHEMBL4025727 0.78 TRPV1 (0.66) TRPV1KDM4EGSK3BALDH1A1KMT2A

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-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP claimed