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SCHEMBL29475657

SCHEMBL29475657

CCCCOc1cc2c([nH]c(=O)n2Cc2ccc(CN3CCC(CCNC(=O)[C@H](CCCCN)NC(=O)CONC(=O)OC(C)(C)C)CC3)cc2)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 12/20 0.43
▸ ACHE P22303 11/20 0.43
▸ TLR7 Q9NYK1 6/20 0.39
▸ IL6 P05231 4/20 0.39
▸ CACNA1F O60840 2/20 0.38
▸ CACNA1D Q01668 2/20 0.38
▸ CACNA1S Q13698 2/20 0.38
▸ CACNA1C Q13936 2/20 0.38

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
SCHEMBL26347389 0.90 TLR7 (0.51) TLR7IL6
SCHEMBL29475658 0.89 BCHE (0.41) BCHEACHETLR7IL6CACNA1F
SCHEMBL29034705 0.83 TLR7 (0.53) TLR7IL6
SCHEMBL26347448 0.81 TLR7 (0.55) TLR7IL6
SCHEMBL26347376 0.81 TLR7 (0.55) TLR7IL6
SCHEMBL29034568 0.81 TLR7 (0.55) TLR7IL6
SCHEMBL29475681 0.81 BCHE (0.42) BCHEACHETLR7IL6CACNA1F
SCHEMBL22359142 0.81 TLR7 (0.40) BCHEACHETLR7IL6CACNA1F
SCHEMBL28659945 0.81 TLR7 (0.40) BCHEACHETLR7IL6CACNA1F
SCHEMBL29034704 0.80 TLR7 (0.54) TLR7IL6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4199968-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF Ambrx, Inc. (US) 2023-06-28 — — EP disclosed
WO-2022040596-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF AMBRX, INC. (US) 2022-02-24 — — WO disclosed
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