SCHEMBL10554354

SCHEMBL10554354

CC1CC(=O)NN=C1c1cccnc1-n1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 16/20 0.61
▸ PDE3B Q13370 14/20 0.61
▸ PDE4B Q07343 5/20 0.61
▸ PDE4A P27815 2/20 0.61
▸ PDE4C Q08493 2/20 0.61
▸ PDE4D Q08499 2/20 0.61
▸ PDE2A O00408 2/20 0.47
▸ PBRM1 Q86U86 1/20 0.43
▸ ELANE P08246 1/20 0.42
▸ PDE1A P54750 1/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ PDE5A O76074 2/20 0.40
▸ GPR119 Q8TDV5 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
SCHEMBL7395148 0.78 PDE3A (0.63) PDE3APDE3BPDE4BPDE4APDE4C
Ci-930 SCHEMBL6052113 0.76 PDE3B (1.00) PDE3APDE3BPDE4BPDE4APDE4C
Ci-930 SCHEMBL10657390 0.75 PDE3B (0.98) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10553122 0.75 PDE3B (0.69) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10551547 0.75 PDE3A (0.61) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10549976 0.75 PDE3B (0.68) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10469492 0.75 PDE3B (0.71) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10646114 0.74 PDE3A (0.63) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10383108 0.72 PDE3B (0.64) PDE3APDE3BPDE4BPDE4APDE4C
Motapizone SCHEMBL385669 0.70 PDE3B (0.65) PDE3APDE3BPDE4BPDE4APDE4C

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-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
EP-0255704-A2 Pyridazinone derivatives, process for their preparation and their use as medicines Roche Diagnostics GmbH (DE) 1988-02-10 — — EP disclosed
Send feedback