SCHEMBL7375000

SCHEMBL7375000

COc1ccc([C@@H]2C[C@H]2NC(C)=O)cc1OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.59
PDE4A P27815 7/20 0.59
PDE4C Q08493 7/20 0.59
PDE4D Q08499 7/20 0.59
CTSK P43235 1/20 0.54

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
SCHEMBL7374997 1.00 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DCTSK
SCHEMBL7371378 0.91 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL7371377 0.91 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL7369280 0.91 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DCTSK
SCHEMBL7369275 0.91 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DCTSK
SCHEMBL7367175 0.82 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL7367174 0.82 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL7370998 0.81 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DCTSK
SCHEMBL7371000 0.81 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DCTSK
SCHEMBL7368954 0.81 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D

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-1994027947-A1 PHENYLCYCLOPROPANE COMPOUNDS AND THEIR USE AS cAMP AND TNF INHIBITORS RHONE-POULENC RORER LTD. (GB) 1994-12-08 WO claimed
WO-1994027947-A1 PHENYLCYCLOPROPANE COMPOUNDS AND THEIR USE AS cAMP AND TNF INHIBITORS RHONE-POULENC RORER LTD. (GB) 1994-12-08 WO disclosed