SCHEMBL29973199

SCHEMBL29973199

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.54
▸ GLP1R P43220 3/20 0.54
▸ PTH1R Q03431 3/20 0.54
▸ C5AR1 P21730 1/20 0.54
▸ MC4R P32245 1/20 0.54
▸ MC5R P33032 1/20 0.54
▸ MC3R P41968 1/20 0.54
▸ MC1R Q01726 1/20 0.54
▸ KEAP1 Q14145 1/20 0.54
▸ IL23R Q5VWK5 2/20 0.53
▸ CCKBR P32239 4/20 0.53
▸ KISS1R Q969F8 1/20 0.52

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
SCHEMBL16455227 0.97 CTSL (0.55) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL9347526 0.94 CTSL (0.54) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL29973495 0.92 CTSL (0.56) CTSLCTSSCTSKCTSHPTH1R
SCHEMBL10419744 0.88 C5AR1 (0.51) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL29410268 0.87 IL23R (0.62) GLP1RPTH1RC5AR1KEAP1IL23R
SCHEMBL30037155 0.87 IL23R (0.62) GLP1RPTH1RC5AR1KEAP1IL23R
SCHEMBL29389186 0.87 IL23R (0.62) GLP1RPTH1RC5AR1KEAP1IL23R
SCHEMBL29641069 0.86 IL23R (0.58) CTSLCTSSCTSKCTSHIL23R
SCHEMBL18388638 0.86 C5AR1 (0.74) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL31501133 0.85 C5AR1 (0.53) CTSLCTSSCTSKCTSHGLP1R

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
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
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