SCHEMBL30570802

SCHEMBL30570802

CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.54
▸ CRHR1 P34998 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ IL23R Q5VWK5 1/20 0.48
▸ APLNR P35414 1/20 0.48
▸ GLP1R P43220 7/20 0.47
▸ SCTR P47872 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46

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
SCHEMBL29720259 0.94 CALCR (0.58) CALCRCRHR1CRHR2APLNRGLP1R
Neurokinin A SCHEMBL29357512 0.88 CALCR (0.57) CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL30974128 0.88 GLP1R (0.57) CALCRGLP1RSCTROPRM1OPRD1
SCHEMBL30431997 0.87 CALCR (0.66) CALCRCRHR1CRHR2IL23RGLP1R
SCHEMBL29994110 0.86 CALCR (0.58) CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL30778184 0.86 CALCR (0.60) CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL29880436 0.86 CALCR (0.60) CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL29726691 0.86 CALCR (0.60) CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL29635518 0.85 APLNR (0.48) CALCRCRHR1CRHR2APLNROPRM1
SCHEMBL29697025 0.85 CALCR (0.51) CALCRCRHR1CRHR2GLP1RSCTR

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-114606283-B Walnut polypeptide with good emulsifying property and preparation method thereof 陕西师范大学 2023-08-15 — — CN disclosed
Send feedback