SCHEMBL21117550

SCHEMBL21117550

CCOc1cc(Cn2c(=O)[nH]c3cc(-c4c(F)cccc4F)cnc32)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.61
GRIN1 Q05586 4/20 0.51
GRIN2B Q13224 4/20 0.51
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL21117398 0.91 PDE4B (0.54) PDE4BGRIN1GRIN2B
SCHEMBL21117546 0.90 PDE4B (0.62) PDE4BGRIN1GRIN2BHSD17B10
SCHEMBL21117369 0.88 PDE4B (0.61) PDE4BGRIN1GRIN2BHSD17B10
SCHEMBL21117315 0.87 PDE4B (0.60) PDE4BHSD17B10
SCHEMBL21087488 0.86 PDE4B (0.64) PDE4BGRIN1GRIN2BHSD17B10
SCHEMBL21117383 0.86 PDE4B (0.61) PDE4BGRIN1GRIN2BHSD17B10
SCHEMBL21117745 0.86 PDE4B (0.61) PDE4BGRIN1GRIN2BHSD17B10
SCHEMBL21117402 0.84 PDE4B (0.53) PDE4BGRIN1GRIN2BHSD17B10
SCHEMBL21117316 0.84 PDE4B (0.61) PDE4BHSD17B10
SCHEMBL21087117 0.83 PDE4B (0.64) PDE4BHSD17B10

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-3502111-A1 PDE4 INHIBITOR Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-26 EP disclosed