SCHEMBL7380332

SCHEMBL7380332

COc1ccc(C[N+]c2c(Cl)cncc2Cl)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.53
PDE4B Q07343 10/20 0.53
PDE4D Q08499 9/20 0.53
PDE4C Q08493 8/20 0.53
CSNK2A1 P68400 2/20 0.44

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
SCHEMBL1389102 0.81 PDE4A (0.56) PDE4APDE4BPDE4DPDE4CCSNK2A1
SCHEMBL7374625 0.79 PDE4A (0.52) PDE4APDE4BPDE4DPDE4CCSNK2A1
SCHEMBL5309679 0.75 PDE4B (0.56) PDE4APDE4BPDE4DPDE4CCSNK2A1
SCHEMBL984917 0.74 PDE4D (0.57) PDE4APDE4BPDE4DPDE4C
SCHEMBL6858739 0.74 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL307931 0.73 TPH1 (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL3976102 0.73 PDE4B (0.57) PDE4APDE4BPDE4DPDE4C
SCHEMBL7380336 0.73 PDE4B (0.64) PDE4APDE4BPDE4DPDE4C
SCHEMBL7320539 0.73 PDE4B (0.47) PDE4APDE4BPDE4DPDE4CCSNK2A1
SCHEMBL7387771 0.73 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C

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-0796093-A4 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO CELTIQUE SA (LU) 1998-05-13 EP disclosed
EP-0796093-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV Euroceltique S.A. (LU) 1997-09-24 EP disclosed
WO-1996021435-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO-CELTIQUE, S.A. (LU) 1996-07-18 WO disclosed