SCHEMBL20219282

SCHEMBL20219282

CCCC[C@@H](CCO)Nc1nc(C)ncc1OCCCc1ccc2c(c1)OCC2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.37
▸ TLR7 Q9NYK1 9/20 0.37
▸ TLR8 Q9NR97 2/20 0.36
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33

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
SCHEMBL20413292 0.88 TAS1R3 (0.39) KCNH2TLR7TLR8
SCHEMBL23472692 0.87 KCNH2 (0.34) KCNH2TLR7TLR8CHRM2CHRM1
SCHEMBL23472282 0.85 TLR7 (0.42) KCNH2TLR7TLR8
SCHEMBL20413288 0.84 HPGD (0.39) KCNH2TLR7TLR8
SCHEMBL20413290 0.82 TAS1R3 (0.40) TLR7TLR8
SCHEMBL20386702 0.80 TLR7 (0.46) KCNH2TLR7TLR8
SCHEMBL23472236 0.79 KCNH2 (0.43) KCNH2TLR7TLR8
SCHEMBL15470269 0.79 TLR7 (0.44) KCNH2TLR7TLR8
SCHEMBL20219720 0.76 TLR7 (0.46) KCNH2TLR7TLR8
SCHEMBL15470255 0.75 TLR7 (0.42) KCNH2TLR7TLR8

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-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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