SCHEMBL30102058

SCHEMBL30102058

CSCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.55
▸ ITGB3 P05106 1/20 0.54
▸ ITGAV P06756 1/20 0.54
▸ CRHR1 P34998 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ F2 P00734 4/20 0.49
▸ C5AR1 P21730 2/20 0.49
▸ MC4R P32245 1/20 0.48
▸ NMBR P28336 1/20 0.47
▸ GRPR P30550 1/20 0.47
▸ APLNR P35414 1/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSH P09668 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ NPY5R Q15761 1/20 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
SCHEMBL30495747 0.87 APLNR (0.56) CALCRITGB3ITGAVCRHR1CRHR2
SCHEMBL29865880 0.86 CALCR (0.57) CALCRCRHR1CRHR2F2C5AR1
SCHEMBL30974469 0.85 CALCR (0.53) CALCRITGB3ITGAVCRHR1CRHR2
SCHEMBL30431826 0.85 CALCR (0.59) CALCRCRHR1CRHR2F2MC4R
SCHEMBL31182920 0.85 CALCR (0.71) CALCRCRHR1CRHR2F2NMBR
SCHEMBL29679714 0.84 CALCR (0.56) CALCRCRHR1CRHR2F2C5AR1
SCHEMBL29679881 0.84 CALCR (0.56) CALCRCRHR1CRHR2F2C5AR1
SCHEMBL30432828 0.84 CALCR (0.59) CALCRCRHR1CRHR2F2NMBR
SCHEMBL30733267 0.84 F2 (0.53) CALCRITGB3ITGAVCRHR1CRHR2
SCHEMBL29679690 0.84 CALCR (0.55) CALCRCRHR1CRHR2F2C5AR1

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-115109816-A Method for preparing elastin peptide, elastin peptide prepared thereby and uses thereof 安徽盛美诺生物技术有限公司 2022-09-27 — — CN disclosed
Send feedback