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SCHEMBL29874649

SCHEMBL29874649

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.69
▸ MC5R P33032 2/20 0.69
▸ MC3R P41968 2/20 0.69
▸ MC1R Q01726 2/20 0.69
▸ CXCR4 P61073 4/20 0.68
▸ NPY1R P25929 1/20 0.67
▸ NPY2R P49146 1/20 0.67
▸ NPY4R P50391 1/20 0.67
▸ NPY5R Q15761 1/20 0.67
▸ GLP1R P43220 6/20 0.65
▸ C5AR1 P21730 1/20 0.65
▸ PTH1R Q03431 2/20 0.64
▸ GCGR P47871 3/20 0.63
▸ IL23R Q5VWK5 1/20 0.63
▸ TFPI P10646 1/20 0.62

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
SCHEMBL29361885 0.93 GLP1R (0.66) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL29462886 0.91 MC4R (0.68) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL30432613 0.90 NPY1R (0.69) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL30640750 0.90 CXCR4 (0.69) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL31182642 0.90 NPY1R (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182648 0.90 NPY2R (0.72) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL31182780 0.89 C5AR1 (0.66) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL29545955 0.89 KEAP1 (0.69) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL30006939 0.89 KEAP1 (0.70) MC4RMC5RMC3RMC1RCXCR4
SCHEMBL30658214 0.89 NPY2R (0.72) CXCR4NPY1RNPY2RNPY4RNPY5R

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
WO-2023201070-A1 METHODS AND SYSTEMS FOR IDENTIFYING THERAPEUTIC AGENTS FOR IMPROVING BRAIN FUNCTION OHIO STATE INNOVATION FOUNDATION (US) 2023-10-19 — — WO disclosed
EP-4058470-A2 NOVEL PEPTIDE COMPOSITIONS AND METHODS OF TREATING NEUROLOGICAL INJURY The Regents of the University of Colorado, A Body Corporate (US) 2022-09-21 — — EP disclosed
EP-4058470-A2 NOVEL PEPTIDE COMPOSITIONS AND METHODS OF TREATING NEUROLOGICAL INJURY The Regents of the University of Colorado, A Body Corporate (US) 2022-09-21 — — EP disclosed
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