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SCHEMBL29400476

SCHEMBL29400476

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCNC(=N)N)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 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 15/20 0.60
▸ GHSR Q92847 3/20 0.60
▸ NPY2R P49146 2/20 0.60
▸ IL23R Q5VWK5 2/20 0.57

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
SCHEMBL12417448 0.96 KISS1R (0.60) KISS1RGHSRNPY2RIL23R
SCHEMBL13248725 0.96 KISS1R (0.60) KISS1RGHSRNPY2RIL23R
SCHEMBL12417317 0.96 KISS1R (0.59) KISS1RGHSRNPY2RIL23R
SCHEMBL12417440 0.96 KISS1R (0.59) KISS1RGHSRNPY2RIL23R
SCHEMBL12507812 0.96 KISS1R (0.60) KISS1RGHSRNPY2RIL23R
SCHEMBL12508019 0.95 KISS1R (0.59) KISS1RGHSRNPY2RIL23R
SCHEMBL12417304 0.95 KISS1R (0.59) KISS1RGHSRNPY2RIL23R
SCHEMBL12417357 0.95 KISS1R (0.60) KISS1RGHSRNPY2RIL23R
SCHEMBL29400465 0.93 KISS1R (0.69) KISS1RIL23R
SCHEMBL13248741 0.93 KISS1R (0.58) KISS1RGHSRNPY2RIL23R

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
EP-3960768-A1 BISPECIFIC ANTI-HAPTEN/ANTI-BLOOD BRAIN BARRIER RECEPTOR ANTIBODIES, COMPLEXES THEREOF AND THEIR USE AS BLOOD BRAIN BARRIER SHUTTLES F. Hoffmann-La Roche AG (CH) 2022-03-02 — — EP disclosed
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