SCHEMBL22359282

SCHEMBL22359282

CCCCOc1cc2c([nH]c(=O)n2Cc2ccc(CN3CCC(CCNC(=O)c4cnc(N)cn4)CC3)cc2)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 11/20 0.45
▸ IL6 P05231 4/20 0.45
▸ MAOB P27338 4/20 0.44
▸ MAOA P21397 3/20 0.44
▸ ACHE P22303 5/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ALOX5 P09917 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ CHRM4 P08173 1/20 0.41

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
SCHEMBL29034560 0.89 CHRM4 (0.48) TLR7IL6ACHECHRM4
SCHEMBL26347258 0.87 TLR7 (0.61) TLR7IL6TLR8
SCHEMBL29475661 0.87 ACHE (0.47) TLR7IL6MAOBMAOAACHE
SCHEMBL29034548 0.87 CHRM4 (0.47) TLR7IL6ACHECHRM4
SCHEMBL29034555 0.87 ACHE (0.47) TLR7IL6MAOBMAOAACHE
SCHEMBL22359264 0.85 ACHE (0.46) TLR7IL6ACHECHRM4
SCHEMBL29034532 0.83 CHRM4 (0.44) TLR7IL6ACHECHRM4
SCHEMBL29034540 0.83 TLR7 (0.43) TLR7IL6ACHEBCHETLR8
SCHEMBL29034541 0.83 TLR7 (0.43) TLR7IL6ACHEBCHETLR8
SCHEMBL29475671 0.83 TLR7 (0.43) TLR7IL6ACHEBCHETLR8

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-2020168017-A1 COMPOSITIONS CONTAINING, METHODS AND USES OF ANTIBODY-TLR AGONIST CONJUGATES AMBRX, INC. (US) 2020-08-20 — — WO disclosed
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