SCHEMBL32679440

SCHEMBL32679440

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.65
▸ CTSL P07711 3/20 0.58
▸ CTSS P25774 3/20 0.58
▸ CTSK P43235 3/20 0.58
▸ CTSH P09668 1/20 0.58
▸ KISS1R Q969F8 1/20 0.56
▸ CXCL8 P10145 7/20 0.55

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
SCHEMBL30007711 0.92 KISS1R (0.62) CXCR4KISS1R
SCHEMBL31290071 0.90 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30582469 0.89 CTSL (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30697764 0.89 CTSL (0.60) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31607206 0.88 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30008065 0.88 CTSL (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30209475 0.88 DPP3 (0.55) KISS1RCXCL8
SCHEMBL38652302 0.87 CXCR4 (0.59) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31005883 0.87 KISS1R (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL34461095 0.87 CXCR4 (0.68) CXCR4KISS1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121574190-A Sang Shetai with blood sugar reducing effect, and preparation and application thereof 浙江科技大学 2026-02-27 — — CN claimed
CN-121574190-A Sang Shetai with blood sugar reducing effect, and preparation and application thereof 浙江科技大学 2026-02-27 — — CN disclosed
CN-121574190-A Sang Shetai with blood sugar reducing effect, and preparation and application thereof 浙江科技大学 2026-02-27 — — CN disclosed
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