SCHEMBL4720798

SCHEMBL4720798

COc1cc(OC)cc(-c2nn(-c3cc(N4CC(OC(N)=O)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
UGCG Q16739 1/20 0.34
GPR119 Q8TDV5 1/20 0.32
F10 P00742 7/20 0.32
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
F2 P00734 1/20 0.31
GRM7 Q14831 1/20 0.30
ACACB O00763 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CXCR3 P49682 1/20 0.30

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
SCHEMBL4719505 0.91 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4721967 0.89 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4719850 0.86 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4722716 0.86 NOTUM (0.38) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4722276 0.86 UGCG (0.36) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4721533 0.86 NOTUM (0.39) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4721217 0.86 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4722323 0.86 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4722220 0.85 GRIA2 (0.35) PDE4APDE4BPDE4CPDE4DUGCG
SCHEMBL4724195 0.85 F10 (0.42) PDE4APDE4BPDE4CPDE4DUGCG

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