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Sugi Predict / Compounds / SCHEMBL31633429

SCHEMBL31633429

SCHEMBL31633429

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 14/20 0.53
▸ CALCR P30988 14/20 0.53
▸ NMUR2 Q9GZQ4 4/20 0.52
▸ NMUR1 Q9HB89 4/20 0.52
▸ CXCR4 P61073 2/20 0.51

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
SCHEMBL9293165 0.93 NMUR2 (0.51) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL2317887 0.93 CXCR4 (0.48) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL28923776 0.93 CXCR4 (0.48) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL2317896 0.93 CXCR4 (0.48) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL9726947 0.92 CXCR4 (0.50) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL9726940 0.92 CXCR4 (0.50) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL29495157 0.90 CXCR4 (0.51) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL30360067 0.90 NPY2R (0.61) RAMP3CALCRCXCR4
SCHEMBL29886085 0.89 EPHA2 (0.49) RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL2624945 0.89 CXCR4 (0.50) RAMP3CALCRNMUR2NMUR1CXCR4

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
CN-120189488-A Application of mimic polypeptide containing fibrinogen RGD module in preparation of medicines for preventing and/or treating parkinsonism 南方医科大学珠江医院 2025-06-24 — — CN claimed
CN-120189488-A Application of mimic polypeptide containing fibrinogen RGD module in preparation of medicines for preventing and/or treating parkinsonism 南方医科大学珠江医院 2025-06-24 — — CN disclosed
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