SCHEMBL31529696

SCHEMBL31529696

CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 7/20 0.65
▸ APLNR P35414 2/20 0.56
▸ CRHR1 P34998 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ HCRTR1 O43613 1/20 0.51
▸ HCRTR2 O43614 1/20 0.51
▸ C5AR1 P21730 2/20 0.51
▸ GLP1R P43220 4/20 0.50
▸ GCGR P47871 3/20 0.50
▸ RAMP3 O60896 2/20 0.49

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
SCHEMBL30884597 0.87 C5AR1 (0.60) CALCRAPLNRC5AR1RAMP3
SCHEMBL29662181 0.86 CALCR (0.58) CALCRHCRTR1HCRTR2C5AR1RAMP3
SCHEMBL30483842 0.86 CALCR (0.55) CALCRAPLNRHCRTR1HCRTR2C5AR1
SCHEMBL29410250 0.85 CALCR (0.72) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30261974 0.85 CALCR (0.63) CALCRAPLNRC5AR1GLP1RGCGR
SCHEMBL29662249 0.85 CALCR (0.58) CALCRHCRTR1HCRTR2RAMP3
SCHEMBL29679690 0.85 CALCR (0.55) CALCRAPLNRCRHR1CRHR2HCRTR1
SCHEMBL31653878 0.85 CALCR (0.75) CALCRAPLNRCRHR1CRHR2HCRTR1
SCHEMBL31529695 0.85 APLNR (0.52) CALCRAPLNRHCRTR1HCRTR2C5AR1
SCHEMBL30884598 0.85 RAMP3 (0.61) CALCRAPLNRC5AR1RAMP3

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-119685444-A Giant magneto-resistance biosensor for detecting protease and preparation method and application thereof 甘肃省科学院传感技术研究所 2025-03-25 — — CN disclosed
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