SCHEMBL6721137

SCHEMBL6721137

COc1cccc(C2=C/C(=C\c3ccc(F)cc3)CCC2CN(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.48
CCR6 P51684 2/20 0.48
NFE2L2 Q16236 1/20 0.39
NPY5R Q15761 1/20 0.36
MITF O75030 1/20 0.36
EGFR P00533 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
MAOB P27338 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
OPRM1 P35372 3/20 0.34
SLC22A1 O15245 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNA5 P22460 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
SCHEMBL6677339 1.00 HSP90AA1 (0.48) HSP90AA1CCR6NFE2L2NPY5RMITF
SCHEMBL6727331 1.00 HSP90AA1 (0.48) HSP90AA1CCR6NFE2L2NPY5RMITF
SCHEMBL6677987 1.00 HSP90AA1 (0.48) HSP90AA1CCR6NFE2L2NPY5RMITF
SCHEMBL6683488 1.00 HSP90AA1 (0.48) HSP90AA1CCR6NFE2L2NPY5RMITF
SCHEMBL6677990 0.90 CCR6 (0.48) HSP90AA1CCR6NFE2L2MITFEGFR
SCHEMBL6718866 0.90 CCR6 (0.48) HSP90AA1CCR6NFE2L2MITFEGFR
SCHEMBL6681695 0.90 CCR6 (0.48) HSP90AA1CCR6NFE2L2MITFEGFR
SCHEMBL6677991 0.90 CCR6 (0.48) HSP90AA1CCR6NFE2L2MITFEGFR
SCHEMBL6727332 0.86 NFE2L2 (0.39) HSP90AA1CCR6NFE2L2NPY5REGFR
SCHEMBL6721138 0.86 NFE2L2 (0.39) HSP90AA1CCR6NFE2L2NPY5REGFR

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
US-6673794-B2 ANALGESICS, INCOTINENCE, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GRUENENTHAL GMBH (DE) 2004-01-06 US claimed