SCHEMBL6066321

SCHEMBL6066321

CC(NC(=O)Nc1cccc2[nH]ncc12)c1ccc(Br)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.81
CLK4 Q9HAZ1 2/20 0.48
MAPK1 P28482 2/20 0.48
SGK1 O00141 1/20 0.48
ROCK2 O75116 1/20 0.48
ULK1 O75385 1/20 0.48
CDK2 P24941 1/20 0.48
GRK2 P25098 1/20 0.48
MAPK3 P27361 1/20 0.48
GRK3 P35626 1/20 0.48
TGFBR2 P37173 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK7 P50613 1/20 0.48
CDK5 Q00535 1/20 0.48
PRKG2 Q13237 1/20 0.48
ROCK1 Q13464 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
MAPK15 Q8TD08 1/20 0.48

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
SCHEMBL5016045 1.00 TRPV1 (0.81) TRPV1CLK4MAPK1SGK1ROCK2
SCHEMBL6531158 0.78 TRPV1 (0.64) TRPV1CLK4DHPSNPC1LMNA
SCHEMBL4022393 0.77 TRPV1 (1.00) TRPV1CLK4GSK3BCDK7ROCK1
SCHEMBL4019196 0.77 TRPV1 (1.00) TRPV1CLK4GSK3BCDK7ROCK1
SCHEMBL3617002 0.77 TRPV1 (0.63) TRPV1MAPK1
SCHEMBL4022067 0.77 TRPV1 (1.00) TRPV1CLK4GSK3BCDK7ROCK1
SCHEMBL4023593 0.77 CLK4 (0.79) TRPV1CLK4ROCK2PRKG2ROCK1
SCHEMBL11949095 0.76 TRPV1 (0.62) TRPV1CLK4DHPSNPC1LMNA
Hydrochloric Acid SCHEMBL4028497 0.76 CLK4 (0.77) TRPV1CLK4ROCK2PRKG2ROCK1
SCHEMBL4022169 0.76 TRPV1 (0.70) TRPV1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed