SCHEMBL30729466

SCHEMBL30729466

CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ KISS1R Q969F8 7/20 0.59
▸ BACE1 P56817 5/20 0.55
▸ OPRL1 P41146 1/20 0.53

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
SCHEMBL29598823 0.89 NPY1R (0.58) NPY1RNPY2RNPY4RKISS1ROPRL1
SCHEMBL29599378 0.88 NPY1R (0.56) NPY1RNPY2RNPY4RKISS1ROPRL1
SCHEMBL27076913 0.87 NPY1R (0.69) NPY1RNPY2RNPY4RKISS1RBACE1
SCHEMBL29359131 0.87 NPY1R (0.69) NPY1RNPY2RNPY4RKISS1RBACE1
SCHEMBL30799652 0.86 BACE1 (0.67) BACE1
SCHEMBL30130346 0.85 BACE1 (0.57) BACE1
SCHEMBL31484077 0.85 BACE1 (0.58) BACE1
SCHEMBL31396396 0.85 NPY1R (0.68) NPY1RNPY2RNPY4RBACE1
SCHEMBL30799664 0.84 PTPN1 (0.61) BACE1
SCHEMBL30799892 0.84 BACE1 (0.69) BACE1

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-20240417437-A1 Linker Polypeptides Trutino Biosciences Inc. (US) 2024-12-19 — — US disclosed
US-20240043489-A1 Cytokine Prodrugs Comprising a Cleavable Linker Trutino Biosciences Inc. (US) 2024-02-08 — — US disclosed
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