SCHEMBL16735809

SCHEMBL16735809

CC/C(=C\c1ccc2c(c1)nc(N)c1ncc(C(C)Cc3ccc(OC)cc3)cc12)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.45
GRM2 Q14416 9/20 0.40
CAPN1 P07384 1/20 0.36

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
SCHEMBL1008796 0.86 TLR7 (0.48) TLR7GRM2
SCHEMBL1059384 0.86 TLR7 (0.48) TLR7GRM2
SCHEMBL1009183 0.85 TLR7 (0.46) TLR7GRM2
SCHEMBL1009149 0.84 TLR7 (0.53) TLR7GRM2
SCHEMBL15345852 0.84 TLR7 (0.65) TLR7GRM2
SCHEMBL1527462 0.84 TLR7 (0.65) TLR7GRM2
SCHEMBL1527588 0.84 TLR7 (0.65) TLR7GRM2
SCHEMBL1703699 0.83 TLR7 (0.48) TLR7GRM2
SCHEMBL1527519 0.82 TLR7 (0.64) TLR7GRM2
SCHEMBL11891212 0.82 TLR7 (0.64) TLR7GRM2

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-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP disclosed