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Sugi Predict / Compounds / SCHEMBL31409140

SCHEMBL31409140

SCHEMBL31409140

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.55
▸ NPY2R P49146 7/20 0.53
▸ NPY4R P50391 7/20 0.53
▸ NPY5R Q15761 7/20 0.53
▸ NPY1R P25929 5/20 0.53
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ OPRM1 P35372 6/20 0.52
▸ OPRK1 P41145 6/20 0.52
▸ C5AR1 P21730 1/20 0.51
▸ CALCR P30988 1/20 0.51

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
SCHEMBL29667180 0.92 NPY2R (0.56) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL16212659 0.90 C5AR1 (0.54) APLNROPRM1OPRK1C5AR1
SCHEMBL32682322 0.89 NPY2R (0.62) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30504860 0.89 C5AR1 (0.52) APLNRMAPK8MAPK9MAPK10OPRM1
SCHEMBL31409175 0.88 C5AR1 (0.53) APLNRC5AR1
SCHEMBL30883197 0.87 APLNR (0.54) APLNRMAPK8MAPK9MAPK10OPRM1
SCHEMBL30512749 0.87 NPY2R (0.55) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30325295 0.86 F2 (0.56) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30537456 0.86 APLNR (0.55) APLNROPRM1OPRK1C5AR1
SCHEMBL29608111 0.86 APLNR (0.55) APLNROPRM1OPRK1C5AR1

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-119320439-B Cow milk endogenous antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2026-03-17 — — CN disclosed
CN-119320439-A Cow milk endogenous antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2025-01-17 — — CN disclosed
CN-119320439-A Cow milk endogenous antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2025-01-17 — — CN disclosed
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