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SCHEMBL30605461

SCHEMBL30605461

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.61
▸ NMUR1 Q9HB89 5/20 0.61
▸ OPRD1 P41143 4/20 0.58
▸ OPRM1 P35372 2/20 0.58
▸ NTSR1 P30989 3/20 0.57
▸ NPY2R P49146 6/20 0.57
▸ NPY4R P50391 6/20 0.57
▸ NPY5R Q15761 6/20 0.57
▸ NPY1R P25929 4/20 0.57
▸ C5AR1 P21730 1/20 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
SCHEMBL30605471 0.95 NMUR2 (0.63) NMUR2NMUR1OPRM1NTSR1NPY2R
SCHEMBL30064735 0.92 NPY4R (0.58) NMUR2NMUR1OPRM1NPY2RNPY4R
SCHEMBL29973053 0.90 NMUR2 (0.62) NMUR2NMUR1NTSR1NPY2RNPY4R
SCHEMBL11884818 0.89 NMUR2 (0.61) NMUR2NMUR1OPRD1OPRM1NPY2R
SCHEMBL11884805 0.89 NMUR2 (0.61) NMUR2NMUR1OPRD1OPRM1NPY2R
SCHEMBL30432935 0.88 NMUR2 (0.61) NMUR2NMUR1OPRM1NPY2RNPY4R
SCHEMBL30842169 0.88 NMUR2 (0.65) NMUR2NMUR1OPRD1OPRM1C5AR1
SCHEMBL29697076 0.88 NMUR2 (0.62) NMUR2NMUR1OPRD1OPRM1
SCHEMBL30436277 0.87 NTSR1 (0.60) NMUR2NMUR1OPRM1NTSR1NPY2R
SCHEMBL29886800 0.87 NTSR2 (0.67) OPRM1NTSR1NPY2RNPY4RNPY5R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903702-A Polypeptide and application thereof 中国科学院大连化学物理研究所 2023-10-20 — — CN disclosed
CN-116903702-A Polypeptide and application thereof 中国科学院大连化学物理研究所 2023-10-20 — — CN disclosed
CN-116903781-A Functional polymer targeting endotoxin, endotoxin separation material, preparation and application 中国科学院大连化学物理研究所 2023-10-20 — — CN disclosed
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