SCHEMBL31475673

SCHEMBL31475673

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FURIN P09958 8/20 0.43
PRSS1 P07477 2/20 0.43
OPRD1 P41143 3/20 0.42
PCSK6 P29122 1/20 0.42
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
CTSL P07711 1/20 0.39
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL30272486 0.93 FURIN (0.42) FURINPRSS1OPRD1PCSK6NMT2
SCHEMBL31475710 0.90 FURIN (0.43) FURINPRSS1OPRD1PCSK6NMT2
SCHEMBL31475681 0.87 OPRD1 (0.44) OPRD1CTSDBACE1
SCHEMBL31475680 0.86 DPP8 (0.46) FURINPRSS1OPRD1PCSK6
SCHEMBL31475692 0.86 BACE1 (0.52) OPRD1CTSDBACE1
SCHEMBL29510852 0.85 FURIN (0.42) FURINPRSS1PCSK6CTSLCTSD
SCHEMBL31475702 0.85 NPY4R (0.44) FURINOPRD1CTSDBACE1
SCHEMBL30081121 0.83 NMT1 (0.46) FURINPCSK6NMT2NMT1CTSD
SCHEMBL29630490 0.83 NMT1 (0.46) FURINPCSK6NMT2NMT1CTSD
SCHEMBL29401138 0.83 FURIN (0.47) FURINPRSS1PCSK6NMT2NMT1

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
US-20250129126-A1 LONG-LASTING HEPATITIS VIRUS ENTRY INHIBITOR Chengdu AODA Biotechnology Co., Ltd (CN) 2025-04-24 US disclosed