SCHEMBL6065634

SCHEMBL6065634

Nc1cccc2[nH]ccc12.O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.56
CLK4 Q9HAZ1 2/20 0.47
MAPK1 P28482 2/20 0.43
AURKA O14965 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MARK3 P27448 1/20 0.43
AKT1 P31749 1/20 0.43
CSNK1D P48730 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKX P51817 1/20 0.43
LIMK1 P53667 1/20 0.43
CSNK2A1 P68400 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
SCHEMBL4020628 0.94 TRPV1 (0.62) TRPV1CLK4MAPK1AURKADYRK3
SCHEMBL4021300 0.82 TRPV1 (0.71) TRPV1CLK4
SCHEMBL6066297 0.80 TRPV1 (0.65) TRPV1CLK4
SCHEMBL4107305 0.78 KDM4E (0.66) TRPV1CLK4MAPK1ROCK2GSK3B
SCHEMBL4023690 0.77 CLK4 (0.52) TRPV1CLK4MAPK1ROCK2PRKACA
SCHEMBL4026162 0.77 CLK4 (0.78) TRPV1CLK4MAPK1AURKADYRK3
SCHEMBL6308037 0.76 TRPV1 (0.75) TRPV1MEN1RAB9AKMT2A
SCHEMBL6066275 0.75 TRPV1 (0.63) TRPV1MEN1RAB9AKMT2A
SCHEMBL6066028 0.75 TRPV1 (0.65) TRPV1
SCHEMBL4026095 0.74 TRPV1 (0.55) TRPV1CLK4MEN1KMT2A

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