SCHEMBL7619015

SCHEMBL7619015

COc1ccc([C@H]2CN(Cc3ccccc3)C[C@]2(C)CC=O)cc1OC1Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.45
PDE4B Q07343 16/20 0.43
PDE4C Q08493 9/20 0.43
PDE4D Q08499 9/20 0.43
PDE7A Q13946 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL7619017 1.00 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL5358219 0.88 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL5362332 0.83 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL5362335 0.83 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL14575330 0.83 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL5361396 0.82 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL5361391 0.82 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL14575579 0.82 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL5755474 0.82 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL14575650 0.78 PDE4B (0.65) PDE4APDE4BPDE4CPDE4DPDE7A

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-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP disclosed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO disclosed