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Sugi Predict / Compounds / SCHEMBL30401759

SCHEMBL30401759

SCHEMBL30401759

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 15/20 0.61
▸ IL23R Q5VWK5 3/20 0.55
▸ ECE1 P42892 1/20 0.54
▸ GLP1R P43220 1/20 0.54
▸ MUS81 Q96NY9 1/20 0.54

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
SCHEMBL30401709 0.98 KISS1R (0.62) KISS1RIL23R
SCHEMBL29982283 0.98 KISS1R (0.62) KISS1RIL23R
SCHEMBL29981974 0.96 KISS1R (0.59) KISS1RIL23RECE1GLP1RMUS81
SCHEMBL29981946 0.96 KISS1R (0.59) KISS1RIL23RECE1GLP1RMUS81
SCHEMBL29981789 0.90 IL23R (0.58) KISS1RIL23R
SCHEMBL30093011 0.90 IL23R (0.54) KISS1RIL23R
SCHEMBL11811768 0.89 MAGI3 (0.54) KISS1R
SCHEMBL30130556 0.89 KISS1R (0.65) KISS1RECE1GLP1RMUS81
SCHEMBL30093110 0.89 IL23R (0.60) IL23R
SCHEMBL29982290 0.88 KISS1R (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023027125-A1 HUMAN TRANSFERRIN RECEPTOR-BINDING ANTIBODY-PEPTIDE CONJUGATE ペプチドリーム株式会社 2023-03-02 — — WO disclosed
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