SCHEMBL6589638

SCHEMBL6589638

COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(C#CCN3CCOCC3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.67
PDE4B Q07343 17/20 0.67
PDE4C Q08493 17/20 0.67
PDE4D Q08499 17/20 0.67
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6587944 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6585212 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6592467 0.79 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587228 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583967 0.77 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6591087 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587981 0.76 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588133 0.76 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587239 0.75 PDE4A (0.94) PDE4APDE4BPDE4CPDE4D
SCHEMBL6589078 0.74 PDE4A (0.72) 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