SCHEMBL30608996

SCHEMBL30608996

C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.58
▸ CTSB P07858 2/20 0.58
▸ C5AR1 P21730 2/20 0.56
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ DPP3 Q9NY33 4/20 0.51
▸ TACR1 P25103 1/20 0.50
▸ CXCR4 P61073 1/20 0.50
▸ NMBR P28336 2/20 0.49
▸ GRPR P30550 2/20 0.49
▸ KISS1R Q969F8 3/20 0.48

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
SCHEMBL30609012 0.95 C5AR1 (0.61) CAPN1CTSBC5AR1CTSLCTSS
SCHEMBL30609008 0.95 C5AR1 (0.61) CAPN1CTSBC5AR1CTSLCTSS
SCHEMBL30577311 0.92 CTSL (0.61) CAPN1CTSBC5AR1CTSLCTSS
SCHEMBL30609009 0.92 CAPN1 (0.60) CAPN1CTSBC5AR1NTSR2NTSR1
SCHEMBL30577312 0.91 C5AR1 (0.63) C5AR1NTSR2NTSR1SORT1CTSL
SCHEMBL30609002 0.90 CTSL (0.64) CAPN1CTSBC5AR1CTSLCTSS
SCHEMBL30609006 0.90 CTSL (0.64) CAPN1CTSBC5AR1CTSLCTSS
SCHEMBL31105546 0.89 CAPN1 (0.58) CAPN1CTSBC5AR1NTSR2NTSR1
SCHEMBL30609005 0.89 CTSL (0.61) CAPN1CTSBC5AR1CTSLCTSS
SCHEMBL30609016 0.88 CTSL (0.60) CAPN1CTSBC5AR1CTSLCTSS

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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