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SCHEMBL30420814

SCHEMBL30420814

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 13/20 0.66
▸ NPY4R P50391 6/20 0.64
▸ NPY1R P25929 4/20 0.64
▸ NPY2R P49146 3/20 0.64
▸ NPY5R Q15761 3/20 0.64
▸ OPRD1 P41143 1/20 0.62
▸ TFPI P10646 1/20 0.61

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
SCHEMBL30421030 1.00 KISS1R (0.66) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30421347 0.91 KISS1R (0.76) KISS1R
SCHEMBL30420969 0.91 KISS1R (0.76) KISS1R
SCHEMBL30421283 0.91 KISS1R (0.76) KISS1R
SCHEMBL30420873 0.91 KISS1R (0.76) KISS1R
SCHEMBL30420526 0.91 KISS1R (0.76) KISS1R
SCHEMBL30420870 0.91 KISS1R (0.76) KISS1R
SCHEMBL30924738 0.90 NPY4R (0.62) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30924755 0.88 IL23R (0.58) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL30924724 0.88 TFPI (0.54) KISS1RNPY4RNPY1RNPY5RTFPI

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-4430064-A1 CYCLIC PEPTIDE COMPOUNDS WHICH ARE KISS1R RECEPTOR AGONISTS, AND THERAPEUTIC USES THEREOF Institut national de recherche pour l'agriculture, l'alimentation et l'environnement (FR) 2024-09-18 — — EP disclosed
WO-2023083815-A1 CYCLIC PEPTIDE COMPOUNDS WHICH ARE KISS1R RECEPTOR AGONISTS, AND THERAPEUTIC USES THEREOF INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE L'ALIMENTATION ET L'ENVIRONNEMENT (FR) 2023-05-19 — — WO disclosed
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