SCHEMBL29968798

SCHEMBL29968798

CC(NC(=O)Nc1cc(C(N)=O)ccc1N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
OPRD1 P41143 1/20 0.43
MTOR P42345 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPY2R P49146 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNQ2 O43526 1/20 0.40

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
SCHEMBL6693691 1.00 NPC1 (0.44) NPC1OPRD1MTORMAPTKMT2A
SCHEMBL6695115 0.94 KMT2A (0.47) OPRD1MTORMAPTKMT2AMEN1
SCHEMBL29968317 0.94 KMT2A (0.47) OPRD1MTORMAPTKMT2AMEN1
SCHEMBL27126152 0.94 KMT2A (0.47) OPRD1MTORMAPTKMT2AMEN1
SCHEMBL6687497 0.88 MAPT (0.52) NPC1OPRD1MAPTKMT2AMEN1
SCHEMBL29968689 0.88 MAPT (0.52) NPC1OPRD1MAPTKMT2AMEN1
SCHEMBL29968283 0.88 MAPT (0.49) OPRD1MAPTKMT2AMEN1POLB
SCHEMBL6687417 0.88 MAPT (0.49) OPRD1MAPTKMT2AMEN1POLB
SCHEMBL29968257 0.86 NPSR1 (0.48) NPC1OPRD1MAPTKMT2AMEN1
SCHEMBL6684975 0.86 NPSR1 (0.48) NPC1OPRD1MAPTKMT2AMEN1

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 4 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
CN-117999073-A Use of nadolol to treat chronic obstructive pulmonary disease by blocking the inhibitor protein-2 pathway 慢性呼吸道治疗有限公司 2024-05-07 CN 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