SCHEMBL7308328

SCHEMBL7308328

NCCCOc1cccc(C2=NNC(=O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
KMT2A Q03164 1/20 0.50
PDE3B Q13370 8/20 0.46
PDE3A Q14432 8/20 0.46
PDE4B Q07343 4/20 0.46
PDE4A P27815 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
GPR119 Q8TDV5 2/20 0.42

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
SCHEMBL7294654 0.94 MAPT (0.54) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL10965995 0.86 MAPT (0.72) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL7306239 0.84 LMNA (0.78) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL10967557 0.83 MAPT (0.56) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL8116038 0.81 LMNA (0.76) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL10967061 0.80 SMN1; SMN2 (0.51) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL4903296 0.79 PDE3B (0.54) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL5309374 0.79 PDE3B (0.63) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL8109668 0.79 SMN1; SMN2 (0.52) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL7304311 0.78 PDE3B (0.56) LMNANPY1RNPY2RMAPTSMN1; SMN2

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
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
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