SCHEMBL29968300

SCHEMBL29968300

C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.44
▸ NPY1R P25929 10/20 0.44
▸ NPY5R Q15761 9/20 0.44
▸ NPY2R P49146 6/20 0.42
▸ CTSD P07339 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ECE1 P42892 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
SCHEMBL29564351 0.94 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31006052 0.93 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29565556 0.92 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29638080 0.90 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RECE1
SCHEMBL29608915 0.90 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RECE1
SCHEMBL29630552 0.90 SLC15A2 (0.41) NPY4RNPY1RNPY5RNPY2RECE1
SCHEMBL29851173 0.90 SLC15A2 (0.41) NPY4RNPY1RNPY5RNPY2RECE1
SCHEMBL29839258 0.90 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RECE1
SCHEMBL31064881 0.90 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RECE1
SCHEMBL29638076 0.87 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2R

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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