SCHEMBL7357472

SCHEMBL7357472

COc1cnc(C(C)CN(CC(OC)OC)C(N)=O)cc1OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.41
TRPC6 Q9Y210 4/20 0.40
CNR2 P34972 2/20 0.36

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
SCHEMBL7150868 0.78 PDE4B (0.39) PDE4BTRPC6CNR2
SCHEMBL7148906 0.77 PDE4B (0.42) PDE4BTRPC6
SCHEMBL6156937 0.77 PDE4B (0.48) PDE4B
SCHEMBL3633786 0.74 TRPC6 (0.54) PDE4BTRPC6CNR2
SCHEMBL88281 0.68 TRPC6 (0.49) PDE4BTRPC6CNR2
SCHEMBL18708221 0.68 TRPC6 (0.49) PDE4BTRPC6CNR2
SCHEMBL71158 0.67 TRPC6 (0.48) PDE4BTRPC6CNR2
SCHEMBL7379374 0.67 PDE4B (0.50) PDE4B
SCHEMBL7619551 0.66 PDE4B (0.51) PDE4B
SCHEMBL15757242 0.65 PDE4B (0.41) PDE4BTRPC6

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-1068194-A1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-17 EP disclosed
WO-1999050262-A1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO disclosed