SCHEMBL29968772

SCHEMBL29968772

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.49
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
OPRM1 P35372 2/20 0.47
TSHR P16473 2/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 3/20 0.46
OPRK1 P41145 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL5568497 1.00 OPRD1 (0.49) OPRD1KMT2AALDH1A1HPGDOPRM1
SCHEMBL6699164 0.86 KMT2A (0.47) OPRD1KMT2AALDH1A1HPGDOPRM1
SCHEMBL6693686 0.86 KMT2A (0.49) OPRD1KMT2AALDH1A1HPGDOPRM1
SCHEMBL5567749 0.86 KMT2A (0.57) OPRD1KMT2AALDH1A1HPGDTSHR
SCHEMBL6698122 0.86 KMT2A (0.51) OPRD1KMT2AALDH1A1HPGDOPRM1
SCHEMBL6701730 0.86 KMT2A (0.48) OPRD1KMT2AALDH1A1HPGDTSHR
SCHEMBL6700031 0.85 KMT2A (0.46) OPRD1KMT2AALDH1A1HPGDOPRM1
SCHEMBL6695105 0.85 MAPT (0.54) OPRD1KMT2AALDH1A1HPGDMAOB
SCHEMBL6877172 0.84 OPRD1 (0.47) OPRD1KMT2AALDH1A1HPGDOPRM1
SCHEMBL29968962 0.84 OPRD1 (0.47) OPRD1KMT2AALDH1A1HPGDOPRM1

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