SCHEMBL29937017

SCHEMBL29937017

COc1cc2c(N3CCN(C4CCCC4)CC3)nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 1.00
TLR9 Q9NR96 10/20 1.00
EHMT2 Q96KQ7 4/20 0.59
SPIN1 Q9Y657 3/20 0.58
SPIN4 Q56A73 1/20 0.58
SPIN3 Q5JUX0 1/20 0.58
SPIN2B Q9BPZ2 1/20 0.58
DNMT1 P26358 1/20 0.55

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
SCHEMBL19385205 1.00 TLR7 (1.00) TLR7TLR9EHMT2SPIN1SPIN4
SCHEMBL19405148 0.89 TLR7 (0.80) TLR7TLR9EHMT2SPIN1SPIN4
SCHEMBL19385009 0.89 TLR7 (1.00) TLR7TLR9EHMT2SPIN1SPIN4
SCHEMBL19385103 0.87 TLR7 (1.00) TLR7TLR9EHMT2SPIN1
SCHEMBL19385129 0.86 TLR7 (1.00) TLR7TLR9EHMT2SPIN1SPIN4
SCHEMBL19385236 0.85 TLR7 (1.00) TLR7TLR9EHMT2SPIN1SPIN4
SCHEMBL19385401 0.83 TLR7 (0.79) TLR7TLR9EHMT2SPIN1
SCHEMBL19405214 0.82 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL19405196 0.77 TLR7 (1.00) TLR7TLR9SPIN1
SCHEMBL31351320 0.75 TLR7 (0.60) TLR7TLR9EHMT2SPIN1SPIN4

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