SCHEMBL7306239

SCHEMBL7306239

NCCCOc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.78
NPY1R P25929 1/20 0.78
NPY2R P49146 1/20 0.78
MAPT P10636 2/20 0.73
KMT2A Q03164 1/20 0.68
HRH3 Q9Y5N1 5/20 0.67
SMN1; SMN2 Q16637 1/20 0.53
PDE3B Q13370 8/20 0.47
PDE3A Q14432 8/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
KCNH2 Q12809 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL8116038 0.96 LMNA (0.76) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL6795295 0.93 MAPT (0.75) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL10967326 0.87 LMNA (1.00) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL1373314 0.87 LMNA (0.80) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7280593 0.84 MAPT (0.75) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL10970095 0.84 MAPT (1.00) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7308328 0.84 LMNA (0.56) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL9815953 0.84 LMNA (0.92) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL10370953 0.83 MAPT (0.78) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7328478 0.83 LMNA (0.72) LMNANPY1RNPY2RMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204463-A Substituted methoxyphenyl-4,5 dihydro-3(2H)-pridazinones having cardiotonic and beta blocking activities GLAXO INC. (US) 1993-04-20 US disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
US-5096904-A Congestive heart failure GLAXO INC. (US) 1992-03-17 US disclosed
US-5053338-A Hydrolysis of ester to obtain an optically enriched mixture of a phenol enantiomer GLAXO INC. (US) 1991-10-01 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed