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SCHEMBL29400465

SCHEMBL29400465

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 18/20 0.69
▸ IL23R Q5VWK5 2/20 0.63

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
SCHEMBL13367313 0.97 KISS1R (0.64) KISS1RIL23R
SCHEMBL29400672 0.97 KISS1R (0.64) KISS1RIL23R
SCHEMBL13460202 0.97 KISS1R (0.64) KISS1RIL23R
SCHEMBL14520566 0.97 KISS1R (0.64) KISS1RIL23R
SCHEMBL14520588 0.97 KISS1R (0.64) KISS1RIL23R
SCHEMBL14498068 0.95 KISS1R (0.65) KISS1RIL23R
SCHEMBL13248726 0.95 KISS1R (0.66) KISS1RIL23R
SCHEMBL13248723 0.95 KISS1R (0.65) KISS1RIL23R
SCHEMBL12417315 0.95 KISS1R (0.65) KISS1RIL23R
SCHEMBL12417309 0.94 IL23R (0.64) KISS1RIL23R

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
US-12023378-B2 Covalently linked antigen-antibody conjugates HOFFMANN-LA ROCHE INC. (US) 2024-07-02 — — US disclosed
US-11273223-B2 Bispecific anti-hapten/anti-blood brain barrier receptor antibodies, complexes thereof and their use as blood brain barrier shuttles HOFFMANN-LA ROCHE INC. (US) 2022-03-15 — — US disclosed
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