SCHEMBL27408596

SCHEMBL27408596

CNc1c(N)c(OCCOC)nn1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.35
TLR8 Q9NR97 1/20 0.35
GRM4 Q14833 2/20 0.32
TSHR P16473 1/20 0.32
CCR4 P51679 1/20 0.32

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
SCHEMBL16464561 0.67 TLR7 (0.47) TLR7TLR8TSHR
SCHEMBL1801769 0.66 GAA (0.33)
Hydrochloric Acid SCHEMBL31714576 0.64 TSHR (0.36) TLR7TLR8GRM4TSHRCCR4
SCHEMBL6288971 0.64 MAPT (0.41) TLR8TSHR
SCHEMBL1805254 0.64 GAA (0.36)
SCHEMBL16482236 0.64 TLR8 (0.44) TLR7TLR8TSHR
SCHEMBL21640750 0.62 PLAU (0.34) TSHR
SCHEMBL5765140 0.62 TLR7 (0.36) TLR7TLR8TSHR
SCHEMBL16462614 0.61 TSHR (0.42) TLR7TLR8TSHR
SCHEMBL5420273 0.60 LRRK2 (0.38)

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
CN-1045783-A Diaza  class anti-allergy medicament PFIZER (US) 1990-10-03 CN disclosed