SCHEMBL29034560

SCHEMBL29034560

CCCCOc1cc2c([nH]c(=O)n2Cc2ccc(CN3CCC(CCNC(=O)c4ccc(N)cc4)CC3)cc2)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 6/20 0.48
▸ ACHE P22303 2/20 0.46
▸ TLR7 Q9NYK1 5/20 0.45
▸ IL6 P05231 1/20 0.45

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
SCHEMBL29034548 0.95 CHRM4 (0.47) CHRM4ACHETLR7IL6
SCHEMBL29475661 0.93 ACHE (0.47) CHRM4ACHETLR7IL6
SCHEMBL29034555 0.93 ACHE (0.47) CHRM4ACHETLR7IL6
SCHEMBL22359264 0.91 ACHE (0.46) CHRM4ACHETLR7IL6
SCHEMBL29034532 0.90 CHRM4 (0.44) CHRM4ACHETLR7IL6
SCHEMBL22359282 0.89 TLR7 (0.45) CHRM4ACHETLR7IL6
SCHEMBL26347233 0.87 TLR7 (0.63) TLR7IL6
SCHEMBL26347245 0.83 TLR7 (0.62) TLR7IL6
SCHEMBL29475671 0.83 TLR7 (0.43) ACHETLR7IL6
SCHEMBL29034541 0.83 TLR7 (0.43) ACHETLR7IL6

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
CN-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 — — CN disclosed
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