SCHEMBL4724909

SCHEMBL4724909

COc1cc(OC)cc(-c2nn(-c3cc(N4CC(CO)C4)ccc3C(F)(F)F)c(=O)c3c2CCCN3CCO)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
UGCG Q16739 1/20 0.31
F10 P00742 6/20 0.31
F2 P00734 2/20 0.31

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
SCHEMBL4723157 0.96 F10 (0.32) F10F2
SCHEMBL4766343 0.91 F10 (0.31) F10F2
SCHEMBL4719068 0.90 F10 (0.36) UGCGF10F2
SCHEMBL4719066 0.90 F10 (0.36) UGCGF10F2
SCHEMBL4719850 0.89 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4719683 0.89 SMN1; SMN2 (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL4721664 0.89 F10 (0.35) F10F2
SCHEMBL4724288 0.88 F10 (0.40) F10F2
SCHEMBL4721921 0.88 CXCR3 (0.33) F10F2
SCHEMBL4723688 0.87 S1PR1 (0.35) F10F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed