SCHEMBL29968168

SCHEMBL29968168

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.54
▸ BACE1 P56817 11/20 0.54
▸ CTSD P07339 4/20 0.54
▸ SLC6A2 P23975 1/20 0.46
▸ RAMP1 O60894 1/20 0.46
▸ BACE2 Q9Y5Z0 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ CAPN1 P07384 2/20 0.44

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
SCHEMBL31347657 0.91 CALCRL (0.54) CALCRLBACE1CTSDSLC6A2RAMP1
SCHEMBL30385729 0.89 NTSR2 (0.49) CALCRL
SCHEMBL30386802 0.88 NTSR2 (0.49) CALCRLBACE1CTSD
SCHEMBL30242241 0.86 SLC6A2 (0.47) CALCRLBACE1CTSDSLC6A2KEAP1
SCHEMBL29733288 0.86 CALCRL (0.51) CALCRLBACE1CTSDSLC6A2RAMP1
SCHEMBL29680220 0.85 CAPN1 (0.51) CALCRLBACE1CTSDSLC6A2RAMP1
SCHEMBL31655494 0.85 BACE1 (0.49) CALCRLBACE1CTSDSLC6A2KEAP1
SCHEMBL31655493 0.85 BACE1 (0.49) CALCRLBACE1CTSDSLC6A2KEAP1
SCHEMBL31415964 0.85 CAPN1 (0.48) CALCRLSLC6A2CAPN1
SCHEMBL29531335 0.85 NTSR2 (0.47) SLC6A2CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4304717-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY Chronic Airway Therapeutics Limited (AU) 2024-01-17 — — EP disclosed
WO-2022192252-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY CHRONIC AIRWAY THERAPEUTICS LIMITED (AU) 2022-09-15 — — WO disclosed
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