SCHEMBL31518658

SCHEMBL31518658

CC(C)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](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.54
▸ F2 P00734 4/20 0.53
▸ MC4R P32245 1/20 0.51
▸ CRHR1 P34998 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ FCGRT P55899 2/20 0.49
▸ APLNR P35414 1/20 0.49
▸ HCRTR1 O43613 1/20 0.48
▸ HCRTR2 O43614 1/20 0.48
▸ NPY2R P49146 4/20 0.48
▸ NPY4R P50391 4/20 0.48
▸ NPY5R Q15761 4/20 0.48
▸ NPY1R P25929 3/20 0.48

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
SCHEMBL31518668 0.89 CALCR (0.62) CALCRF2MC4RCRHR1CRHR2
SCHEMBL30437151 0.87 F2 (0.63) CALCRF2MC4RCRHR1CRHR2
SCHEMBL30724176 0.85 SLC6A2 (0.53) CALCRF2MC4RNPY2RNPY4R
SCHEMBL29743013 0.85 C5AR1 (0.59) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29878778 0.85 F2 (0.55) F2MC4RAPLNR
SCHEMBL31462051 0.85 CALCR (0.59) CALCRF2MC4RCRHR1CRHR2
SCHEMBL31182710 0.84 CALCR (0.68) CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30209621 0.84 F2 (0.60) CALCRF2MC4R
SCHEMBL29637839 0.84 F2 (0.54) CALCRF2APLNR
SCHEMBL30906471 0.83 CALCR (0.66) CALCRF2CRHR1CRHR2HCRTR1

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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