SCHEMBL30609007

SCHEMBL30609007

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)O)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.64
▸ CTSS P25774 3/20 0.64
▸ CTSK P43235 3/20 0.64
▸ CTSH P09668 1/20 0.64
▸ C5AR1 P21730 2/20 0.55
▸ CXCR4 P61073 7/20 0.55
▸ CAPN1 P07384 2/20 0.50
▸ CTSB P07858 2/20 0.50
▸ DPP3 Q9NY33 1/20 0.50
▸ KISS1R Q969F8 3/20 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
SCHEMBL30609002 0.95 CTSL (0.64) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609006 0.95 CTSL (0.64) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30577311 0.95 CTSL (0.61) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609008 0.92 C5AR1 (0.61) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609012 0.92 C5AR1 (0.61) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609005 0.92 CTSL (0.61) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609016 0.91 CTSL (0.60) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609010 0.91 CTSL (0.60) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30577312 0.90 C5AR1 (0.63) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609011 0.89 CTSL (0.62) CTSLCTSSCTSKCTSHC5AR1

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
WO-2023169550-A1 POLYPEPTIDE COMPOUND FOR PREVENTING AND/OR TREATING RENAL FIBROSIS 中山大学 2023-09-14 — — WO claimed
WO-2023169550-A1 POLYPEPTIDE COMPOUND FOR PREVENTING AND/OR TREATING RENAL FIBROSIS 中山大学 2023-09-14 — — WO disclosed
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