SCHEMBL6777494

SCHEMBL6777494

CCOCc1nc2c(N)nc(C)cc2n1CCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
HTR2A P28223 6/20 0.39
HTR7 P34969 6/20 0.39
HTR6 P50406 6/20 0.39
CCR1 P32246 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
NPY5R Q15761 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 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
SCHEMBL6779376 0.91 HTR7 (0.38) HTR2AHTR7HTR6CCR1TLR7
SCHEMBL6780506 0.91 ALDH1A1 (0.46) HTR2AHTR7TLR7ALDH1A1PKM
SCHEMBL6784556 0.89 TLR7 (0.40) TLR7ALDH1A1PKMGAA
SCHEMBL6780023 0.86 TLR7 (0.42) TLR7ALDH1A1PKMGAAL3MBTL1
SCHEMBL6772805 0.85 TRPV1 (0.44) TLR7ALDH1A1
SCHEMBL6773764 0.85 TLR7 (0.38) DRD2HTR2AHTR7HTR6TLR7
SCHEMBL6774083 0.83 TLR7 (0.40) TLR7
SCHEMBL6285270 0.83 F2 (0.35) TLR7ALDH1A1GAATP53
SCHEMBL6285276 0.83 F2 (0.35) TLR7ALDH1A1GAATP53
SCHEMBL6285069 0.83 TLR7 (0.48) TLR7

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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed