SCHEMBL30099567

SCHEMBL30099567

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.48
▸ OPRM1 P35372 3/20 0.44
▸ OPRD1 P41143 3/20 0.44
▸ RAMP3 O60896 9/20 0.42
▸ CALCR P30988 9/20 0.42
▸ FCGRT P55899 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ REN P00797 1/20 0.41

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
SCHEMBL30099635 0.91 CALCRL (0.45) CAPN1RAMP3CALCRFCGRTREN
SCHEMBL29375390 0.87 CALCRL (0.48) CAPN1OPRM1OPRD1RAMP3CALCR
SCHEMBL30849848 0.87 DPP4 (0.42) FCGRTREN
SCHEMBL29567266 0.85 XIAP (0.40) CAPN1OPRM1OPRD1FCGRT
SCHEMBL30420933 0.84 CAPN1 (0.48) CAPN1OPRM1OPRD1RAMP3CALCR
SCHEMBL8624738 0.83 RAMP3 (0.51) CAPN1OPRM1OPRD1RAMP3CALCR
SCHEMBL8624746 0.83 RAMP3 (0.51) CAPN1OPRM1OPRD1RAMP3CALCR
SCHEMBL31031548 0.82 OPRM1 (0.47) CAPN1OPRM1OPRD1RAMP3CALCR
SCHEMBL29449499 0.82 NTSR2 (0.42) CAPN1FCGRTCTSBREN
SCHEMBL31031512 0.82 CAPN1 (0.51) CAPN1OPRM1OPRD1RAMP3CALCR

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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