SCHEMBL30099474

SCHEMBL30099474

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.42
▸ OPRD1 P41143 6/20 0.42
▸ CTSB P07858 1/20 0.42
▸ OPRK1 P41145 3/20 0.40
▸ CTSD P07339 2/20 0.39
▸ BACE1 P56817 2/20 0.39

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
SCHEMBL31462114 0.85 OPRM1 (0.48) OPRM1OPRD1CTSBOPRK1CTSD
SCHEMBL30099562 0.84 CTSD (0.41) CTSDBACE1
SCHEMBL31461893 0.83 OPRD1 (0.44) OPRM1OPRD1OPRK1
SCHEMBL8538876 0.83 OPRD1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL8538880 0.83 OPRD1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL29568512 0.82 CTSD (0.40) CTSBCTSDBACE1
SCHEMBL31643053 0.81 CTSB (0.46) OPRM1OPRD1CTSBCTSDBACE1
SCHEMBL31461857 0.80 PTGS1 (0.45) OPRM1OPRD1OPRK1
SCHEMBL30471792 0.80 OPRD1 (0.52) OPRM1OPRD1CTSBOPRK1
SCHEMBL29822509 0.80 OPRM1 (0.51) OPRM1OPRD1CTSBOPRK1BACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO claimed
Send feedback