SCHEMBL9700712

SCHEMBL9700712

CCCCc1nc2c(C)cccc2n1Cc1ccc(N)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.58
PPARG P37231 1/20 0.54
TLR8 Q9NR97 2/20 0.53

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
SCHEMBL9090417 0.93 PPARG (0.62) TLR7PPARGTLR8
SCHEMBL9699713 0.83 TLR7 (0.53) TLR7PPARG
SCHEMBL9087992 0.81 AGTR1 (0.70) TLR7PPARG
SCHEMBL9086749 0.80 PPARG (0.65) TLR7PPARG
SCHEMBL8089466 0.78 TLR7 (0.52) TLR7
Ammonia Solution, Strong SCHEMBL9312909 0.75 PPARG (0.56) PPARG
SCHEMBL6756133 0.74 TLR8 (0.54) TLR7PPARGTLR8
SCHEMBL16486561 0.73 TLR7 (1.00) TLR7
SCHEMBL15703349 0.72 TLR7 (1.00) TLR7TLR8
SCHEMBL9125473 0.72 AGTR1 (0.71) TLR7PPARG

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
WO-1992006081-A1 ANILIDE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1992-04-16 WO disclosed