SCHEMBL7293305

SCHEMBL7293305

NCCc1nc2cc(C3=NNC(=O)CC3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.44
PDE3A Q14432 9/20 0.44
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
GPR119 Q8TDV5 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAD52 P43351 1/20 0.41
UBE2N P61088 1/20 0.41
IDO1 P14902 1/20 0.41
PDE2A O00408 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
MAPT P10636 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
SCHEMBL9877849 0.93 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7293313 0.91 RAD52 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9878387 0.79 ALDH1A1 (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7421090 0.79 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7295007 0.77 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9184983 0.76 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9781503 0.75 KCNH2 (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10771092 0.74 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10770718 0.74 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10517768 0.74 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C

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