SCHEMBL7148906

SCHEMBL7148906

COc1cnc(C(C)CN)cc1OCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.42
DHFR P00374 1/20 0.41
TRPC6 Q9Y210 3/20 0.38
PDE4D Q08499 3/20 0.36
PDE4A P27815 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
SCHEMBL7150868 0.77 PDE4B (0.39) PDE4BTRPC6PDE4DPDE4A
SCHEMBL7357472 0.77 PDE4B (0.41) PDE4BTRPC6
SCHEMBL7617504 0.77 PDE4B (0.58) PDE4BPDE4DPDE4A
SCHEMBL15757242 0.73 PDE4B (0.41) PDE4BTRPC6PDE4DPDE4A
SCHEMBL18708222 0.73 PDE4D (0.44) PDE4BTRPC6PDE4DPDE4A
SCHEMBL3633786 0.72 TRPC6 (0.54) PDE4BTRPC6PDE4DPDE4A
SCHEMBL18715212 0.71 CNR2 (0.41) PDE4BDHFRTRPC6PDE4DPDE4A
SCHEMBL18708221 0.70 TRPC6 (0.49) PDE4BTRPC6PDE4DPDE4A
SCHEMBL88281 0.70 TRPC6 (0.49) PDE4BTRPC6PDE4DPDE4A
SCHEMBL30352570 0.70 PDE4B (0.63) PDE4BPDE4DPDE4A

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 5 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
EP-1068194-A1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-17 EP disclosed
WO-1999052879-A1 ACYLRESORCINOL DERIVATIVES AS SELECTIVE VITRONECTIN RECEPTOR INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-21 WO disclosed
WO-1999050262-A1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO disclosed