SCHEMBL26499164

SCHEMBL26499164

C/C=C/C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ OPRD1 P41143 8/20 0.45
▸ OPRM1 P35372 7/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ REN P00797 1/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ CTSK P43235 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL27382220 0.85 OPRD1 (0.51) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL25751083 0.85 CTSS (0.50) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL18477610 0.84 CTSS (0.49) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL27361383 0.84 OPRD1 (0.49) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL26575093 0.83 CTSS (0.47) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL26512014 0.81 CTSS (0.46) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL27101824 0.79 CTSS (0.53) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL29330070 0.78 CTSS (0.52) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL27427285 0.78 CHRNB2 (0.46) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL25148526 0.77 CTSS (0.53) CTSBCTSSCTSLOPRD1OPRM1

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
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
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