SCHEMBL7150868

SCHEMBL7150868

COc1cnc(C(C)CNC(=O)NCC(OC)OC)cc1OCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.39
PDE4A P27815 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
CNR2 P34972 10/20 0.39
TRPC6 Q9Y210 2/20 0.38
CNR1 P21554 1/20 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
SCHEMBL7619551 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL7357472 0.78 PDE4B (0.41) PDE4BCNR2TRPC6
SCHEMBL7148906 0.77 PDE4B (0.42) PDE4BPDE4APDE4DTRPC6
SCHEMBL7148673 0.76 ACACB (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL71158 0.71 TRPC6 (0.48) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL88281 0.70 TRPC6 (0.49) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL18708221 0.70 TRPC6 (0.49) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL3633786 0.69 TRPC6 (0.54) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL7614635 0.69 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL7151008 0.68 PDE4B (0.49) 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
US-6656959-B1 PDE IV inhibiting pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-02 US disclosed
EP-1068194-B1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-05 EP disclosed