SCHEMBL29968962

SCHEMBL29968962

CS(=O)(=O)Nc1cc(C(=O)N2CCNCC2)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAOB P27338 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OPRM1 P35372 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GAA P10253 1/20 0.41
NR2E1 Q9Y466 1/20 0.41

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
SCHEMBL6877172 1.00 OPRD1 (0.47) OPRD1CA12CA1CA2CA7
SCHEMBL6872576 0.88 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL6882826 0.87 OPRD1 (0.45) OPRD1CA12CA1CA2CA7
SCHEMBL29968975 0.87 OPRD1 (0.45) OPRD1CA12CA1CA2CA7
SCHEMBL6883992 0.86 NPSR1 (0.50) OPRD1CA12CA1CA2CA7
SCHEMBL29968772 0.84 OPRD1 (0.49) OPRD1MAOBKMT2AMEN1ALDH1A1
SCHEMBL5568497 0.84 OPRD1 (0.49) OPRD1MAOBKMT2AMEN1ALDH1A1
SCHEMBL6693686 0.83 KMT2A (0.49) OPRD1MAOBKMT2AMEN1ALDH1A1
SCHEMBL6699164 0.83 KMT2A (0.47) OPRD1CA12CA1CA2CA7
SCHEMBL5567749 0.83 KMT2A (0.57) OPRD1MAOBKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024189434-A1 USE OF NADOLOL TO TREAT PULMONARY SYMPTOMS ASSOCIATED WITH INFECTIONS WITH SARS-CoV-2 CHRONIC AIRWAY THERAPEUTICS LIMITED (AU) 2024-09-19 WO disclosed
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