SCHEMBL31464910

SCHEMBL31464910

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

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.71
▸ GLP1R P43220 4/20 0.65
▸ CRHR1 P34998 1/20 0.64
▸ CRHR2 Q13324 1/20 0.64
▸ NPY2R P49146 7/20 0.62
▸ NPY4R P50391 7/20 0.62
▸ NPY5R Q15761 7/20 0.62
▸ NPY1R P25929 5/20 0.62
▸ APLNR P35414 1/20 0.61
▸ C5AR1 P21730 1/20 0.60
▸ GCGR P47871 3/20 0.59

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
SCHEMBL31182813 0.92 CALCR (0.70) CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL31504147 0.92 CALCR (0.71) CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL29416142 0.92 CALCR (0.72) CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL29771869 0.92 CALCR (0.68) CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL29771870 0.92 CALCR (0.68) CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL29771868 0.92 CALCR (0.68) CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL29771867 0.91 CALCR (0.67) CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL30495810 0.91 CALCR (0.71) CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL31182545 0.91 CALCR (0.75) CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL30261994 0.90 C5AR1 (0.65) CALCRGLP1RNPY2RNPY4RNPY5R

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-119823232-A STAT3 inhibition polypeptide, anti-tumor drug and application 无锡市人民医院 2025-04-15 — — CN disclosed
Send feedback