SCHEMBL6583505

SCHEMBL6583505

O=C(/C=C\Cc1ccccc1C(F)(F)F)Nc1cccc2cnccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.67
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CHEK1 O14757 1/20 0.52
PIM1 P11309 1/20 0.52
CDK8 P49336 1/20 0.52
GSK3B P49841 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
LIMK1 P53667 1/20 0.52
ROCK1 Q13464 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MEN1 O00255 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
SCHEMBL4021088 0.78 TRPV1 (0.67) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4019250 0.77 TRPV1 (0.65) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4023915 0.74 TRPV1 (0.80) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL4021176 0.73 TRPV1 (0.72) TRPV1KDM4EMAPTCHEK1PIM1
SCHEMBL3937023 0.71 TRPV1 (0.61) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3937017 0.71 TRPV1 (0.61) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4023494 0.71 TRPV1 (0.76) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3943228 0.71 TRPV1 (0.58) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4029235 0.71 TRPV1 (0.60) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3943231 0.71 TRPV1 (0.58) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2

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-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed