SCHEMBL6583313

SCHEMBL6583313

CC(C)c1ccc(CN)cc1.Cc1cc2c(NC(=O)NCc3ccc(C(C)C)cc3)cccc2cn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.64
KDM4E B2RXH2 2/20 0.46
GSK3B P49841 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL4019879 0.96 TRPV1 (0.68) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL4022493 0.86 TRPV1 (0.70) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL6066105 0.85 TRPV1 (0.62) TRPV1KDM4EGSK3BCYP2D6
SCHEMBL4027040 0.84 TRPV1 (0.71) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL6066323 0.84 TRPV1 (0.58) TRPV1KDM4EGSK3BCYP3A4CYP2D6
SCHEMBL4022743 0.83 TRPV1 (0.70) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL4022819 0.82 TRPV1 (0.70) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL4022939 0.82 TRPV1 (0.70) TRPV1CYP3A4CYP2D6
SCHEMBL4022844 0.81 TRPV1 (0.67) TRPV1KDM4EGSK3BMEN1ALDH1A1
SCHEMBL4025617 0.81 TRPV1 (0.72) TRPV1

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