SCHEMBL4021182

SCHEMBL4021182

CC(C)(C)c1ccc(CNC(=O)C(CS(=O)(=O)O)c2cccc3cnccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.61
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ROS1 P08922 1/20 0.42
RPS6KB1 P23443 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4022681 0.87 TRPV1 (0.63) TRPV1NAMPTALDH1A1LMNAMAPT
SCHEMBL4027196 0.84 TRPV1 (0.67) TRPV1NAMPTALDH1A1LMNAMAPT
SCHEMBL4022888 0.84 TRPV1 (0.67) TRPV1NAMPTALDH1A1LMNAMAPT
SCHEMBL4019231 0.83 TRPV1 (0.59) TRPV1NAMPTALDH1A1LMNAMAPT
SCHEMBL4021359 0.83 TRPV1 (0.66) TRPV1NAMPTALDH1A1LMNAMAPT
SCHEMBL4023713 0.83 TRPV1 (0.61) TRPV1NAMPTALDH1A1LMNAMAPT
SCHEMBL4021068 0.82 TRPV1 (0.64) TRPV1NAMPTALDH1A1LMNAMAPT
SCHEMBL4025322 0.80 TRPV1 (0.62) TRPV1NAMPTALDH1A1LMNAMAPT
SCHEMBL4024405 0.80 TRPV1 (0.64) TRPV1
SCHEMBL4029320 0.76 ROS1 (0.60) TRPV1ROS1RPS6KB1HDAC6

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
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP claimed