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SCHEMBL31295885

SCHEMBL31295885

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.58
▸ NMUR1 Q9HB89 5/20 0.58
▸ NPY2R P49146 7/20 0.57
▸ NPY4R P50391 7/20 0.57
▸ NPY5R Q15761 7/20 0.57
▸ NPY1R P25929 5/20 0.57
▸ TFPI P10646 4/20 0.56

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
SCHEMBL31295886 0.96 NMUR2 (0.57) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31295894 0.90 NMUR2 (0.60) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL29679235 0.88 NPY2R (0.59) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31295880 0.87 NMUR2 (0.59) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31183026 0.86 NPY2R (0.64) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30495683 0.86 TFPI (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176416 0.86 NPY2R (0.62) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL29349981 0.86 NPY2R (0.70) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30495583 0.85 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
Cathelicidin SCHEMBL29350781 0.85 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI

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-119119168-A Synthesis method of tyrosine sulfonated polypeptide growth factor 杭州东恒生物医药有限公司 2024-12-13 — — CN claimed
CN-119119168-A Synthesis method of tyrosine sulfonated polypeptide growth factor 杭州东恒生物医药有限公司 2024-12-13 — — CN disclosed
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