SCHEMBL6586405

SCHEMBL6586405

COc1ccc2c(c1)C(N1CCCC1=O)NN=C2Cc1c(Cl)cncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.45
PDE4B Q07343 20/20 0.45
PDE4C Q08493 20/20 0.45
PDE4D Q08499 20/20 0.45

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
SCHEMBL7655262 0.85 ALDH1A1 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588385 0.75 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586401 0.73 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7653066 0.70 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6274069 0.68 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7651294 0.67 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7655513 0.66 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7657365 0.66 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7658146 0.65 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7650498 0.65 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D

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
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP disclosed
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 US disclosed