SCHEMBL31529690

SCHEMBL31529690

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)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 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 5/20 0.60
▸ C5AR1 P21730 1/20 0.56
▸ CXCR4 P61073 2/20 0.51
▸ MC4R P32245 1/20 0.51
▸ RAMP3 O60896 2/20 0.50
▸ CALCR P30988 2/20 0.50

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
SCHEMBL31529689 0.93 C5AR1 (0.54) APLNRC5AR1MC4RRAMP3CALCR
SCHEMBL30884597 0.91 C5AR1 (0.60) APLNRC5AR1CXCR4RAMP3CALCR
SCHEMBL31232550 0.91 C5AR1 (0.53) APLNRC5AR1CXCR4RAMP3CALCR
SCHEMBL29364358 0.91 APLNR (0.57) APLNRC5AR1CXCR4RAMP3CALCR
SCHEMBL31529695 0.89 APLNR (0.52) APLNRC5AR1MC4RCALCR
SCHEMBL29367188 0.89 APLNR (0.57) APLNRC5AR1RAMP3CALCR
SCHEMBL30958093 0.89 APLNR (0.59) APLNRC5AR1CXCR4MC4R
SCHEMBL30884598 0.88 RAMP3 (0.61) APLNRC5AR1CXCR4RAMP3CALCR
SCHEMBL29569355 0.87 C5AR1 (0.55) APLNRC5AR1MC4R
SCHEMBL29801157 0.87 APLNR (0.60) APLNRC5AR1RAMP3CALCR

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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