SCHEMBL6088264

SCHEMBL6088264

Nc1ccc(CCC2=NNC(=O)/C2=C\c2ccc(C(F)(F)F)[nH]2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GFER P55789 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
DAO P14920 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
SCHEMBL6088268 1.00 PDE3B (0.32) PDE3BPDE3AGFERMAOAMAOB
SCHEMBL6090013 0.89 GPR84 (0.34) DAO
SCHEMBL6089356 0.89 GPR84 (0.33) DAO
SCHEMBL6089582 0.83 GFER (0.33) GFERMAOAMAOB
SCHEMBL6089586 0.83 GFER (0.33) GFERMAOAMAOB
SCHEMBL6091646 0.75 SIRT1 (0.42) GFERMAOAMAOB
SCHEMBL6090355 0.75 SIRT1 (0.42) GFERMAOAMAOB
SCHEMBL6088598 0.74 GFER (0.32) GFERDAO
SCHEMBL6091001 0.74 GFER (0.32) GFER
SCHEMBL6090037 0.74 PDPK1 (0.39) GFERDAO

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
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed