SCHEMBL29444851

SCHEMBL29444851

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.52
▸ NMUR1 Q9HB89 5/20 0.52
▸ NPY2R P49146 7/20 0.52
▸ NPY4R P50391 7/20 0.52
▸ NPY5R Q15761 7/20 0.52
▸ NPY1R P25929 5/20 0.52
▸ TFPI P10646 4/20 0.52
▸ MC4R P32245 1/20 0.50
▸ KDM1A O60341 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ KDM5A P29375 1/20 0.50
▸ KDM1B Q8NB78 1/20 0.50
▸ CXCR4 P61073 1/20 0.50

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
SCHEMBL29444857 0.94 NPY2R (0.57) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31232462 0.90 RAMP3 (0.54) NMUR2NMUR1TFPICXCR4
SCHEMBL30567720 0.87 CXCR4 (0.53) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30536321 0.86 NPY2R (0.58) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30512518 0.86 RAMP3 (0.54) NMUR2NMUR1CXCR4
SCHEMBL29679698 0.85 NMUR2 (0.58) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL29736175 0.85 RAMP3 (0.58) NMUR2NMUR1CXCR4
SCHEMBL31483481 0.85 NPY2R (0.51) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31232470 0.85 RAMP3 (0.58) NMUR2NMUR1CXCR4
SCHEMBL30974448 0.84 RAMP3 (0.57) NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812171-B Bioactive peptide with amino acid structure VVRKPLNKEGKKP, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-04-08 — — CN disclosed
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