SCHEMBL31239093

SCHEMBL31239093

CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 7/20 0.58
▸ NMUR1 Q9HB89 6/20 0.58
▸ NPY4R P50391 4/20 0.56
▸ NPY5R Q15761 4/20 0.56
▸ NPY1R P25929 3/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ OPRM1 P35372 6/20 0.55
▸ OPRK1 P41145 6/20 0.55
▸ KDM1A O60341 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
SCHEMBL31239104 0.91 NMUR2 (0.58) NMUR2NMUR1OPRM1OPRK1
SCHEMBL31239092 0.90 NMUR2 (0.57) NMUR2NMUR1
SCHEMBL31239147 0.88 NMUR2 (0.56) NMUR2NMUR1OPRM1OPRK1
SCHEMBL31323240 0.88 EPHA2 (0.59) NMUR2NMUR1OPRM1KDM1A
SCHEMBL31239130 0.88 NMUR2 (0.55) NMUR2NMUR1OPRM1OPRK1
SCHEMBL29657984 0.86 EPHA2 (0.57) NMUR2NMUR1NPY4RNPY5RNPY1R
SCHEMBL30168766 0.85 NMUR2 (0.68) NMUR2NMUR1KDM1A
SCHEMBL13402670 0.85 OPRM1 (0.62) NMUR2NMUR1NPY4RNPY5RNPY1R
SCHEMBL29276555 0.85 EPHA2 (0.57) NMUR2NMUR1OPRM1KDM1A
SCHEMBL31239042 0.85 NTSR1 (0.58) NMUR2NMUR1OPRM1

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
CN-119039391-B High affinity peptide of targeted trophoblast fine antigen 2 and application thereof 中国科学院基础医学与肿瘤研究所(筹) 2025-02-25 — — CN disclosed
CN-119039391-A High affinity peptide of targeted trophoblast fine antigen 2 and application thereof 中国科学院基础医学与肿瘤研究所(筹) 2024-11-29 — — CN disclosed
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