SCHEMBL30519048

SCHEMBL30519048

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.60
▸ CXCR4 P61073 2/20 0.57
▸ KEAP1 Q14145 1/20 0.55
▸ CXCL8 P10145 1/20 0.53
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 1/20 0.51
▸ IL23R Q5VWK5 1/20 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
SCHEMBL30582469 0.88 CTSL (0.57) KISS1RCXCR4CXCL8CTSLCTSS
SCHEMBL31182943 0.88 CXCR4 (0.64) CXCR4KEAP1CXCL8CTSLCTSS
SCHEMBL30768184 0.88 KISS1R (0.63) KISS1RCXCR4KEAP1CXCL8NPY1R
SCHEMBL29978571 0.87 CXCR4 (0.59) KISS1RCXCR4CTSLCTSSCTSK
SCHEMBL29463744 0.86 KISS1R (0.60) KISS1RCXCR4CAPN1CTSBIL23R
SCHEMBL32679440 0.86 CXCR4 (0.65) KISS1RCXCR4CXCL8CTSLCTSS
SCHEMBL29549534 0.86 CTSL (0.60) KISS1RCXCR4KEAP1CXCL8CTSL
SCHEMBL30697764 0.86 CTSL (0.60) KISS1RCXCR4CXCL8CTSLCTSS
SCHEMBL29913348 0.86 C5AR1 (0.58) KISS1RCXCR4KEAP1CTSLCTSS
SCHEMBL29435102 0.85 KISS1R (0.58) KISS1RCXCR4CTSLCTSSCTSK

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
US-20250177301-A1 TRIPLEX NANOPARTICLES UNM RAINFOREST INNOVATIONS 2025-06-05 — — US disclosed
WO-2023147596-A1 TRIPLEX NANOPARTICLES NOUREDDINE ACHRAF (US) 2023-08-03 — — WO disclosed
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