SCHEMBL29972919

SCHEMBL29972919

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.55
▸ APLNR P35414 2/20 0.55
▸ CALCR P30988 3/20 0.53
▸ MC4R P32245 1/20 0.50
▸ CRHR1 P34998 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSH P09668 1/20 0.50
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ REN P00797 1/20 0.48
▸ CXCL8 P10145 2/20 0.47

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
SCHEMBL29695502 0.87 APLNR (0.64) F2APLNRCALCRMC4RCTSL
SCHEMBL30627978 0.86 REN (0.64) REN
SCHEMBL31119149 0.86 F2 (0.52) F2APLNRCALCRRENCXCL8
SCHEMBL30512591 0.86 APLNR (0.54) F2APLNRCALCRCRHR1CRHR2
SCHEMBL29941484 0.85 F2 (0.58) F2APLNRCALCRCRHR1CRHR2
SCHEMBL29972926 0.85 CCKAR (0.49) CALCR
SCHEMBL31607154 0.84 AGTR2 (0.54) F2CALCROPRD1REN
SCHEMBL31437675 0.84 REN (0.53) F2CALCRREN
SCHEMBL31206334 0.84 APLNR (0.59) F2APLNRCALCROPRM1OPRD1
SCHEMBL30456911 0.83 APLNR (0.52) APLNRCTSLCTSSCTSKCTSH

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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