SCHEMBL30099663

SCHEMBL30099663

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 1/20 0.45
▸ NTSR1 P30989 1/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ NMUR2 Q9GZQ4 2/20 0.41
▸ NMUR1 Q9HB89 2/20 0.41
▸ REN P00797 1/20 0.40
▸ RAMP3 O60896 8/20 0.40
▸ CALCR P30988 8/20 0.40
▸ F2 P00734 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ CTSE P14091 1/20 0.40
▸ CAPN1 P07384 1/20 0.40

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
SCHEMBL31067238 0.88 NTSR1 (0.50) NTSR1F2PTPN1
SCHEMBL30933124 0.88 APLNR (0.48) NAA50NTSR1RAMP3CALCR
SCHEMBL29399877 0.87 NTSR1 (0.46) NTSR1F2PTPN1
SCHEMBL30918792 0.87 NMUR2 (0.53) NMUR2NMUR1RAMP3CALCR
SCHEMBL30933089 0.86 NAA50 (0.48) NAA50NTSR1NMUR2NMUR1REN
SCHEMBL29904041 0.86 APLNR (0.41) NAA50NTSR1NMUR2NMUR1PTPN1
SCHEMBL5495351 0.86 NAA50 (0.54) NAA50NTSR1NMUR2NMUR1RAMP3
SCHEMBL31622294 0.86 REN (0.44) NAA50NTSR1RENCAPN1
SCHEMBL30608602 0.85 NAA50 (0.48) NAA50NTSR1STAT3NMUR2NMUR1
SCHEMBL30933082 0.85 NAA50 (0.48) NAA50NTSR1NMUR2NMUR1REN

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
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US claimed
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US disclosed
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO disclosed
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