SCHEMBL31529689

SCHEMBL31529689

CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)C(C)C)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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.54
▸ APLNR P35414 4/20 0.53
▸ MC4R P32245 1/20 0.48
▸ CALCR P30988 6/20 0.48
▸ RAMP3 O60896 4/20 0.48
▸ PLK1 P53350 1/20 0.47
▸ GLP1R P43220 3/20 0.47
▸ GCGR P47871 3/20 0.47
▸ NMUR2 Q9GZQ4 1/20 0.47
▸ NMUR1 Q9HB89 1/20 0.47

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
SCHEMBL31529690 0.93 APLNR (0.60) C5AR1APLNRMC4RCALCRRAMP3
SCHEMBL29364358 0.93 APLNR (0.57) C5AR1APLNRCALCRRAMP3PLK1
SCHEMBL29367188 0.90 APLNR (0.57) C5AR1APLNRCALCRRAMP3PLK1
SCHEMBL30884598 0.88 RAMP3 (0.61) C5AR1APLNRCALCRRAMP3
SCHEMBL31232550 0.88 C5AR1 (0.53) C5AR1APLNRCALCRRAMP3
SCHEMBL31529695 0.87 APLNR (0.52) C5AR1APLNRMC4RCALCR
SCHEMBL29801157 0.86 APLNR (0.60) C5AR1APLNRCALCRRAMP3PLK1
SCHEMBL30884597 0.86 C5AR1 (0.60) C5AR1APLNRCALCRRAMP3
SCHEMBL31367020 0.85 NMUR2 (0.45) APLNRCALCRRAMP3PLK1NMUR2
SCHEMBL29966064 0.85 CALCR (0.61) APLNRCALCRRAMP3

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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