SCHEMBL5591817

SCHEMBL5591817

O=c1ccc2[c]cccc2n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
TRPV1 Q8NER1 1/20 0.35
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP19A1 P11511 1/20 0.32
HIF1A Q16665 1/20 0.32
PTGS2 P35354 3/20 0.32
NOX4 Q9NPH5 1/20 0.32
MAT2A P31153 1/20 0.31
CFTR P13569 1/20 0.31
SCN9A Q15858 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL5800901 0.76 KIF11 (0.34) TRPV1MPIPHOSPHO1CYP19A1SCN9A
SCHEMBL17537378 0.66 GSK3A (0.59) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL1451027 0.66 BRPF1 (0.50)
SCHEMBL25042634 0.66 KDM4E (0.50) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL30039561 0.64 L3MBTL1 (0.59) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL859629 0.64 L3MBTL1 (0.59) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL30171463 0.64 TRPV1 (0.44) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL14933491 0.64 TRPV1 (0.51) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL25042657 0.63 TEAD1 (0.51) GSK3BPPARGPPARACFTRSCN9A
SCHEMBL1447792 0.63 BACE1 (0.37) NOX4

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
WO-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 WO disclosed