SCHEMBL6587944

SCHEMBL6587944

COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(CN3CCOCC3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.76
PDE4B Q07343 14/20 0.76
PDE4C Q08493 14/20 0.76
PDE4D Q08499 14/20 0.76
SMN1; SMN2 Q16637 2/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PDE10A Q9Y233 1/20 0.40
PDE1B Q01064 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
SCHEMBL6588133 0.90 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6585212 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6589638 0.85 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6587900 0.80 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL4701651 0.80 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6589078 0.80 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6589991 0.80 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586051 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6587423 0.78 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587035 0.77 PDE4A (0.84) 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 5 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-6492360-B1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-12-10 US 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
EP-1097142-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-05-09 EP disclosed
WO-2000005218-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-02-03 WO disclosed