SCHEMBL30663358

SCHEMBL30663358

N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.46
▸ NPY4R P50391 8/20 0.42
▸ NPY1R P25929 5/20 0.42
▸ NPY2R P49146 4/20 0.42
▸ NPY5R Q15761 4/20 0.42
▸ C5AR1 P21730 1/20 0.41
▸ MC4R P32245 2/20 0.40

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
SCHEMBL29476475 0.94 FOLH1 (0.45) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30028749 0.92 FOLH1 (0.44) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29697024 0.89 KISS1R (0.45) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30272470 0.89 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL31620054 0.88 FOLH1 (0.45) FOLH1C5AR1MC4R
SCHEMBL30044979 0.88 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RMC4R
SCHEMBL30663373 0.87 FOLH1 (0.51) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29519546 0.87 NPY4R (0.45) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29476385 0.87 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RMC4R
SCHEMBL31252942 0.86 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RC5AR1

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-4511384-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME Provincial Health Services Authority (CA) 2025-02-26 — — EP disclosed
WO-2023201435-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-10-26 — — WO disclosed
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