SCHEMBL31512399

SCHEMBL31512399

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.55
▸ NPY4R P50391 8/20 0.55
▸ NPY5R Q15761 8/20 0.55
▸ NPY1R P25929 6/20 0.55
▸ CXCR4 P61073 5/20 0.53
▸ EPHA2 P29317 2/20 0.52
▸ KDM1A O60341 2/20 0.50
▸ MAOB P27338 1/20 0.50
▸ KDM5A P29375 1/20 0.50
▸ KDM1B Q8NB78 1/20 0.50
▸ TFPI P10646 1/20 0.49

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
SCHEMBL31694373 0.91 NTSR1 (0.51) CXCR4
SCHEMBL29949435 0.90 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30280344 0.89 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30280323 0.88 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30844332 0.88 NPY2R (0.57) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30432061 0.88 NPY2R (0.57) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30435678 0.88 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31179920 0.88 NTSR1 (0.51) NPY2RNPY4RNPY5RNPY1R
SCHEMBL29570058 0.87 NPY2R (0.54) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29377791 0.87 RAMP3 (0.56) NPY2RNPY4RNPY5RNPY1RCXCR4

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-119859181-A Bovine lactoferrin polypeptide and application thereof 合肥工业大学 2025-04-22 — — CN claimed
CN-119859181-A Bovine lactoferrin polypeptide and application thereof 合肥工业大学 2025-04-22 — — CN disclosed
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