SCHEMBL5050607

SCHEMBL5050607

CC(C)(C)OC(=O)n1c(-c2cc(-c3ccc(CO)cc3)c(Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.37
NR1H3 Q13133 3/20 0.36
TBK1 Q9UHD2 4/20 0.35

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
SCHEMBL3051369 0.94 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL3044637 0.91 NR1H2 (0.39) NR1H2NR1H3TBK1
SCHEMBL3051382 0.90 NR1H2 (0.36) NR1H2NR1H3TBK1
SCHEMBL3034089 0.90 NR1H2 (0.35) NR1H2NR1H3TBK1
SCHEMBL3037479 0.90 NR1H2 (0.35) NR1H2NR1H3TBK1
SCHEMBL3051443 0.89 TBK1 (0.36) NR1H2NR1H3TBK1
SCHEMBL3044249 0.89 NR1H2 (0.35) NR1H2NR1H3TBK1
SCHEMBL3840174 0.89 NR1H2 (0.37) NR1H2NR1H3TBK1
SCHEMBL3037182 0.88 ACHE (0.37) NR1H2TBK1
SCHEMBL3033517 0.87 EED (0.34) NR1H2NR1H3TBK1

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-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed