SCHEMBL29968102

SCHEMBL29968102

CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.58
▸ NPY5R Q15761 3/20 0.51
▸ NPY1R P25929 2/20 0.51
▸ NPY4R P50391 2/20 0.51
▸ BACE2 Q9Y5Z0 2/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ FOLH1 Q04609 2/20 0.48
▸ CTSD P07339 1/20 0.48

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
SCHEMBL30836857 0.92 BACE1 (0.55) BACE1NPY5RNPY1RNPY4RPTPN1
SCHEMBL30866942 0.92 NPY4R (0.55) BACE1NPY5RNPY1RNPY4R
SCHEMBL30215487 0.90 BACE1 (0.57) BACE1NPY5RNPY1RNPY4RBACE2
SCHEMBL29670260 0.89 TFPI (0.56) BACE1NPY5RNPY1RNPY4R
SCHEMBL30198602 0.88 TFPI (0.56) BACE1NPY5RNPY1RNPY4RBACE2
SCHEMBL30345254 0.88 NPY4R (0.58) BACE1NPY5RNPY1RNPY4R
SCHEMBL30956315 0.88 NPY4R (0.51) BACE1NPY5RNPY1RNPY4R
SCHEMBL30198934 0.88 BACE1 (0.52) BACE1NPY5RNPY1RNPY4R
SCHEMBL30799751 0.88 BACE1 (0.53) BACE1NPY5RNPY1RNPY4RPTPN1
SCHEMBL30175904 0.87 BACE1 (0.58) BACE1NPY5RNPY1RNPY4RBACE2

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
Send feedback