SCHEMBL31688327

SCHEMBL31688327

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.58
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57
▸ CXCL8 P10145 6/20 0.57
▸ KISS1R Q969F8 4/20 0.56
▸ CXCR4 P61073 2/20 0.56
▸ GNRHR P30968 1/20 0.55
▸ CCKBR P32239 1/20 0.55

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
SCHEMBL30712911 0.91 NPY1R (0.61) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31683330 0.90 NPY1R (0.65) F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906427 0.89 NPY1R (0.65) NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906385 0.89 NPY2R (0.71) NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906368 0.89 NPY2R (0.65) F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL30648474 0.88 NPY1R (0.66) F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906461 0.88 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5R
SCHEMBL31688313 0.87 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL30906380 0.87 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5RCCKBR
SCHEMBL31182478 0.87 NPY1R (0.67) NPY1RNPY2RNPY4RNPY5RCCKBR

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
US-20250297282-A1 VIRAL-BINDING PROTEIN AND RELATED REAGENTS, ARTICLES, AND METHODS OF USE JUNO THERAPEUTICS GMBH (DE) 2025-09-25 — — US disclosed
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