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SCHEMBL30578735

SCHEMBL30578735

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.64
▸ NPY4R P50391 8/20 0.64
▸ NPY5R Q15761 8/20 0.64
▸ NPY1R P25929 6/20 0.64
▸ CXCR4 P61073 1/20 0.60
▸ IL23R Q5VWK5 1/20 0.58
▸ GLP1R P43220 5/20 0.58
▸ C5AR1 P21730 1/20 0.57
▸ CTSL P07711 1/20 0.55
▸ CTSH P09668 1/20 0.55
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ MC4R P32245 1/20 0.55
▸ MC5R P33032 1/20 0.55
▸ MC3R P41968 1/20 0.55
▸ MC1R Q01726 1/20 0.55

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
SCHEMBL30578728 0.95 CXCR4 (0.66) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30880905 0.93 CXCR4 (0.63) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30880883 0.92 NPY1R (0.61) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29883115 0.91 C5AR1 (0.59) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30816280 0.89 NPY1R (0.65) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30578720 0.89 NPY1R (0.69) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29430200 0.88 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29523240 0.88 MC4R (0.65) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31457379 0.87 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29531305 0.87 CXCR4 (0.63) 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-116769027-B anti-IL-17 nanobody, polypeptide and application thereof 康元医疗科技(大连)有限公司 2023-12-01 — — CN disclosed
CN-116769027-A anti-IL-17 nanobody, polypeptide and application thereof 康元医疗科技(大连)有限公司 2023-09-19 — — CN disclosed
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