SCHEMBL30382943

SCHEMBL30382943

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.53
▸ CALCR P30988 4/20 0.51
▸ CRHR1 P34998 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ MC4R P32245 1/20 0.49
▸ HCRTR1 O43613 1/20 0.48
▸ HCRTR2 O43614 1/20 0.48
▸ NTSR1 P30989 4/20 0.47
▸ NTSR2 O95665 3/20 0.47
▸ SORT1 Q99523 2/20 0.47
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45

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
SCHEMBL30382454 0.95 F2 (0.52) F2CALCRCRHR1CRHR2MC4R
SCHEMBL29903339 0.93 CALCR (0.58) F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30272476 0.92 NTSR1 (0.46) F2CALCRMC4RNTSR1NTSR2
SCHEMBL31130616 0.87 MC4R (0.57) F2CALCRCRHR1CRHR2MC4R
SCHEMBL30431826 0.87 CALCR (0.59) F2CALCRCRHR1CRHR2MC4R
SCHEMBL30824284 0.86 CALCR (0.64) F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30272450 0.85 F2 (0.46) F2CALCRMC4ROPRK1
SCHEMBL31174229 0.85 CALCR (0.57) F2CALCRCRHR1CRHR2MC4R
SCHEMBL30165153 0.85 MC4R (0.47) F2CALCRMC4ROPRK1
SCHEMBL30168719 0.85 F2 (0.53) F2CALCRCRHR1CRHR2HCRTR1

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
CN-115947783-A Casein peptide-zinc chelate TEDELQDKIHP-Zn and preparation method thereof 东莞理工学院 2023-04-11 — — CN claimed
CN-115947783-A Casein peptide-zinc chelate TEDELQDKIHP-Zn and preparation method thereof 东莞理工学院 2023-04-11 — — CN disclosed
CN-115947783-A Casein peptide-zinc chelate TEDELQDKIHP-Zn and preparation method thereof 东莞理工学院 2023-04-11 — — CN disclosed
Send feedback