SCHEMBL30609011

SCHEMBL30609011

CC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)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)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.62
▸ CTSS P25774 3/20 0.62
▸ CTSK P43235 3/20 0.62
▸ CTSH P09668 1/20 0.62
▸ KISS1R Q969F8 5/20 0.57
▸ C5AR1 P21730 2/20 0.56
▸ CAPN1 P07384 2/20 0.55
▸ CTSB P07858 2/20 0.55
▸ IL23R Q5VWK5 1/20 0.54
▸ CXCR4 P61073 4/20 0.51
▸ MC4R P32245 2/20 0.50
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 2/20 0.50
▸ MC1R Q01726 2/20 0.50
▸ CTNNB1 P35222 1/20 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
SCHEMBL30577311 0.94 CTSL (0.61) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30609005 0.94 CTSL (0.61) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30609016 0.94 CTSL (0.60) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30609010 0.94 CTSL (0.60) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30609006 0.92 CTSL (0.64) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30609002 0.92 CTSL (0.64) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30609008 0.91 C5AR1 (0.61) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30609012 0.91 C5AR1 (0.61) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30609007 0.89 CTSL (0.64) CTSLCTSSCTSKCTSHKISS1R
SCHEMBL30301165 0.89 C5AR1 (0.67) CTSLCTSSCTSKCTSHKISS1R

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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