SCHEMBL4779535

SCHEMBL4779535

Cn1ccc2c(NC(=O)NC3C4CN(c5ccc(F)cc5F)CC43)cccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.43
GPR6 P46095 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL13783798 0.79 ALDH1A1 (0.46) TRPV1MEN1ALDH1A1GAAKMT2A
SCHEMBL4472454 0.79 ALDH1A1 (0.46) TRPV1MEN1ALDH1A1GAAKMT2A
SCHEMBL4472460 0.79 ALDH1A1 (0.46) TRPV1MEN1ALDH1A1GAAKMT2A
SCHEMBL4774278 0.77 POLB (0.38) TRPV1MEN1ALDH1A1GAAKMT2A
SCHEMBL4458301 0.77 TRPV1 (0.61) TRPV1NPC1RAB9A
SCHEMBL4458303 0.77 TRPV1 (0.61) TRPV1NPC1RAB9A
Hydrochloric Acid SCHEMBL4780345 0.76 TRPV1 (0.56) TRPV1
SCHEMBL13783924 0.76 ALDH1A1 (0.44) TRPV1MEN1ALDH1A1GAAKMT2A
SCHEMBL4460262 0.76 ALDH1A1 (0.44) TRPV1MEN1ALDH1A1GAAKMT2A
SCHEMBL4460265 0.76 ALDH1A1 (0.44) TRPV1MEN1ALDH1A1GAAKMT2A

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
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO claimed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed