SCHEMBL8263295

SCHEMBL8263295

O=C1CCC(c2ccc(OCC(=O)N3CCC(NCCCOc4ccc5c(c4)[nH]c4ccccc45)CC3)c(Cl)c2)=NN1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
ATF4 P18848 2/20 0.37
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
MAOB P27338 4/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
P2RY12 Q9H244 1/20 0.35
ADRB3 P13945 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8262387 0.90 ADRB3 (0.39) LMNABCHEACHEHTTADRB3
SCHEMBL4896440 0.89 ADRB3 (0.43) ATF4LMNAALDH1A1HTTADRB3
SCHEMBL4896452 0.89 ADRB3 (0.43) ATF4LMNAALDH1A1HTTADRB3
SCHEMBL4897702 0.80 ADRB3 (0.53) LMNAADRB3
SCHEMBL4897688 0.80 ADRB3 (0.53) LMNAADRB3
SCHEMBL8263805 0.80 ADRB3 (0.53) LMNAADRB3
SCHEMBL4902951 0.78 ADRB2 (0.41) LMNANPY1RNPY2RADRB3MAPT
SCHEMBL4902961 0.78 ADRB2 (0.41) LMNANPY1RNPY2RADRB3MAPT
SCHEMBL4903507 0.77 ATF4 (0.43) ATF4LMNAALDH1A1HTTADRB3
SCHEMBL4902501 0.77 ADRB2 (0.44) LMNANPY1RNPY2RADRB3MAPT

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
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO disclosed