SCHEMBL6065411

SCHEMBL6065411

N#Cc1ccc(C(F)(F)F)cn1.[C-]#N.[Cu+]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
CCR6 P51684 1/20 0.43
KIF11 P52732 1/20 0.40
KMT2A Q03164 3/20 0.40
MAOB P27338 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.37
CTSS P25774 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TRPA1 O75762 1/20 0.35
CHEK1 O14757 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
THRB P10828 1/20 0.35
FAAH O00519 1/20 0.35
ELANE P08246 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2553743 0.94 DGAT1 (0.50) DGAT1CCR6KIF11KMT2AMAOB
SCHEMBL30841758 0.94 DGAT1 (0.50) DGAT1CCR6KIF11KMT2AMAOB
SCHEMBL6065413 0.89 DGAT1 (0.47) DGAT1CCR6KIF11KMT2AMAOB
SCHEMBL6256028 0.80 DGAT1 (0.63) DGAT1CCR6KIF11CTSSTRPA1
SCHEMBL1584633 0.79 DGAT1 (0.42) DGAT1CCR6KIF11SCN10ATRPA1
SCHEMBL14676801 0.79 DGAT1 (0.42) DGAT1CCR6KIF11SCN10ACTSS
SCHEMBL11535669 0.78 ALDH1A1 (0.44) DGAT1CCR6KIF11CTSSALDH1A1
SCHEMBL21045811 0.77 DGAT1 (0.44) DGAT1KIF11CTSSNPSR1TRPA1
SCHEMBL11537287 0.77 CTSS (0.48) DGAT1CCR6SCN10ACTSSALDH1A1
SCHEMBL14973267 0.75 KMT2A (0.43) DGAT1KIF11KMT2AALDH1A1NPSR1

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 4 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
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