SCHEMBL7652296

SCHEMBL7652296

COc1ccc2c(c1CC1CCCC1)CCN=C2Cc1c(Cl)cncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.50
PDE4A P27815 18/20 0.50
PDE4B Q07343 18/20 0.50
PDE4C Q08493 18/20 0.50

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
Hydrochloric Acid SCHEMBL7991157 0.82 PDE4B (0.67) PDE4DPDE4APDE4BPDE4C
SCHEMBL7652196 0.81 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7354104 0.71 PDE4D (0.58) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7991274 0.71 PDE4D (0.57) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7378679 0.70 PDE4D (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL6229674 0.67 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7657365 0.67 PDE4A (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7584180 0.65 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7654903 0.65 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL7359292 0.64 PDE4A (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed