SCHEMBL31518657

SCHEMBL31518657

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)[C@@H](C)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.58
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 0.54
▸ F2 P00734 4/20 0.53
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ NPY2R P49146 7/20 0.52
▸ NPY4R P50391 7/20 0.52
▸ NPY5R Q15761 7/20 0.52
▸ NPY1R P25929 5/20 0.52

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
SCHEMBL30607395 0.84 GLP1R (0.60) CALCRMAPK8MAPK9MAPK10F2
SCHEMBL29608076 0.84 REN (0.54) MAPK8MAPK9MAPK10F2
SCHEMBL30432409 0.83 CALCR (0.62) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30436859 0.83 CALCR (0.61) CALCRMAPK8MAPK9MAPK10HCRTR1
SCHEMBL31182973 0.83 CALCR (0.62) CALCRF2CRHR1CRHR2
SCHEMBL30607409 0.83 CALCR (0.59) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31182803 0.82 CALCR (0.71) CALCRMAPK8MAPK9MAPK10HCRTR1
SCHEMBL31182567 0.82 CALCR (0.67) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29416089 0.82 CALCR (0.61) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31182710 0.82 CALCR (0.68) CALCRHCRTR1HCRTR2F2CRHR1

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
WO-2025098490-A1 POLYPEPTIDE AND USE THEREOF 四川好医生攀西药业有限责任公司 2025-05-15 — — WO claimed
WO-2025098490-A1 POLYPEPTIDE AND USE THEREOF 四川好医生攀西药业有限责任公司 2025-05-15 — — WO disclosed
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