SCHEMBL29968694

SCHEMBL29968694

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.54
▸ BACE2 Q9Y5Z0 2/20 0.54
▸ OPRD1 P41143 6/20 0.52
▸ OPRM1 P35372 4/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ MME P08473 1/20 0.50
▸ ACE P12821 1/20 0.50
▸ ENPEP Q07075 1/20 0.49

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
SCHEMBL29407166 0.92 ACE (0.54) MMEACEENPEP
SCHEMBL30417812 0.91 MME (0.59) OPRD1OPRM1MMEACE
SCHEMBL30414144 0.91 MME (0.59) OPRD1OPRM1MMEACE
SCHEMBL30400950 0.89 MME (0.53) BACE1BACE2MMEACE
SCHEMBL29666764 0.89 ACE (0.56) OPRD1OPRM1OPRK1MMEACE
SCHEMBL29860725 0.88 OPRM1 (0.53) BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL30483948 0.88 BACE1 (0.55) BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL31195269 0.88 MME (0.50) OPRD1OPRM1MMEACEENPEP
SCHEMBL30123042 0.87 MME (0.58) MMEACEENPEP
SCHEMBL29877007 0.87 MME (0.55) BACE1MMEACE

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