SCHEMBL29936638

SCHEMBL29936638

COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCCCN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 1.00
TLR9 Q9NR96 15/20 1.00
SPIN1 Q9Y657 3/20 0.66

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
SCHEMBL19385134 1.00 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19405196 0.90 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19406427 0.89 TLR7 (0.80) TLR7TLR9SPIN1
SCHEMBL19406367 0.85 TLR7 (0.82) TLR7TLR9SPIN1
SCHEMBL19405214 0.85 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19385084 0.84 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19385172 0.84 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL25207922 0.83 TLR7 (0.71) TLR7TLR9SPIN1
SCHEMBL29385899 0.83 TLR7 (0.71) TLR7TLR9SPIN1
SCHEMBL15667852 0.83 TLR9 (0.71) TLR7TLR9SPIN1

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-3433249-B1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL SCIENT IND RES (IN) 2022-11-09 EP disclosed