SCHEMBL22359142

SCHEMBL22359142

CCCCOc1cc2c([nH]c(=O)n2Cc2ccc(CN3CCC(CCNC(=O)[C@@H](N)CCCCNC(=O)CON)CC3)cc2)c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 10/20 0.40
▸ IL6 P05231 5/20 0.40
▸ BCHE P06276 8/20 0.40
▸ ACHE P22303 8/20 0.40
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNA1S Q13698 1/20 0.38
▸ CACNA1C Q13936 1/20 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
SCHEMBL28659945 1.00 TLR7 (0.40) TLR7IL6BCHEACHECACNA1F
SCHEMBL29034576 0.89 TLR7 (0.54) TLR7IL6
SCHEMBL26354824 0.89 TLR7 (0.54) TLR7IL6
SCHEMBL29034537 0.89 TLR7 (0.39) TLR7IL6
SCHEMBL29475724 0.89 TLR7 (0.39) TLR7IL6
SCHEMBL29475681 0.88 BCHE (0.42) TLR7IL6BCHEACHECACNA1F
SCHEMBL29034532 0.87 CHRM4 (0.44) TLR7IL6ACHE
SCHEMBL29475671 0.85 TLR7 (0.43) TLR7IL6BCHEACHE
SCHEMBL29034540 0.85 TLR7 (0.43) TLR7IL6BCHEACHE
SCHEMBL29034541 0.85 TLR7 (0.43) TLR7IL6BCHEACHE

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
CN-113660957-A Compositions, methods, and uses comprising antibody-TLR agonist conjugates AMBRX公司 2021-11-16 — — CN disclosed
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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