SCHEMBL7294591

SCHEMBL7294591

CC(=O)NCCNc1ccc(C2=NNC(=O)CC2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.44
▸ PDE3A Q14432 13/20 0.44
▸ PDE4A P27815 4/20 0.44
▸ PDE4B Q07343 4/20 0.44
▸ PDE4C Q08493 4/20 0.44
▸ PDE4D Q08499 4/20 0.44
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL21969799 0.84 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9686193 0.78 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11573498 0.76 SMN1; SMN2 (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7304454 0.73 PDE4A (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL21969526 0.73 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9184755 0.73 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL21969542 0.72 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL21969543 0.72 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL21969530 0.72 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL906413 0.72 CA12 (0.46) MAPT

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
Send feedback