SCHEMBL31362633

SCHEMBL31362633

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.66
CALCR P30988 5/20 0.58
CRHR1 P34998 1/20 0.52
CRHR2 Q13324 1/20 0.52
APLNR P35414 1/20 0.52
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
NPY2R P49146 6/20 0.51
NPY4R P50391 6/20 0.51
NPY5R Q15761 6/20 0.51
NPY1R P25929 4/20 0.51
RAMP1 O60894 1/20 0.51
RAMP2 O60895 1/20 0.51
RAMP3 O60896 1/20 0.51
CALCRL Q16602 1/20 0.51
ANPEP P15144 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51

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
SCHEMBL31362686 0.92 LNPEP (0.57) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL30586509 0.91 F2 (0.60) F2CALCRCRHR1CRHR2RAMP1
SCHEMBL31362639 0.87 F2 (0.56) F2ANPEPLNPEP
SCHEMBL31462026 0.86 MAPK8 (0.50) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL9010601 0.86 LNPEP (0.64) F2ANPEPLNPEP
SCHEMBL9010597 0.86 LNPEP (0.64) F2ANPEPLNPEP
SCHEMBL31174221 0.86 F2 (0.69) F2CALCRCRHR1CRHR2APLNR
SCHEMBL31462094 0.85 NPY2R (0.53) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL31462015 0.85 CALCRL (0.51) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL31461899 0.85 CALCRL (0.51) F2CALCRNPY2RNPY4RNPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390815-A Whey protein peptide, whey protein fermentation concentrate, and preparation method and application thereof 张少辉 2025-02-07 CN claimed
CN-119390815-A Whey protein peptide, whey protein fermentation concentrate, and preparation method and application thereof 张少辉 2025-02-07 CN disclosed