SCHEMBL6592235

SCHEMBL6592235

COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1C=CCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 1.00
PDE4A P27815 18/20 1.00
PDE4B Q07343 18/20 1.00
PDE4C Q08493 18/20 1.00

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
SCHEMBL6592230 1.00 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586374 0.86 PDE4A (0.75) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586372 0.86 PDE4A (0.75) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586630 0.84 PDE4A (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586625 0.84 PDE4A (0.72) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6590136 0.82 PDE4D (0.98) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586601 0.80 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586660 0.78 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL8344691 0.76 PDE4A (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL6592499 0.76 PDE4D (0.77) PDE4DPDE4APDE4BPDE4C

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 3 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