SCHEMBL29968844

SCHEMBL29968844

NC(=O)c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(NC(=S)Nc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.42
OPRD1 P41143 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
ALOX5 P09917 2/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6686736 1.00 ALDH1A1 (0.44) ALDH1A1NPSR1GAAHTTMAPT
SCHEMBL29968689 0.91 MAPT (0.52) ALDH1A1GAAHTTMAPTOPRD1
SCHEMBL6687497 0.91 MAPT (0.52) ALDH1A1GAAHTTMAPTOPRD1
SCHEMBL6690231 0.88 MAPT (0.47) ALDH1A1NPSR1GAAHTTMAPT
SCHEMBL29968850 0.88 MAPT (0.47) ALDH1A1NPSR1GAAHTTMAPT
SCHEMBL6689954 0.87 MAPT (0.49) ALDH1A1NPSR1GAAHTTMAPT
SCHEMBL6687417 0.87 MAPT (0.49) ALDH1A1MAPTOPRD1KDM4EMEN1
SCHEMBL29968283 0.87 MAPT (0.49) ALDH1A1MAPTOPRD1KDM4EMEN1
SCHEMBL6688894 0.86 MAPT (0.47) ALDH1A1HTTMAPTOPRD1KDM4E
SCHEMBL29968131 0.83 MAPT (0.51) ALDH1A1NPSR1GAAMAPTOPRD1

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