SCHEMBL27734835

SCHEMBL27734835

CNN1c2c(ccc(-c3cc(Cl)ccc3O)c2CO)NC(NC)(NC)C1C=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 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
SCHEMBL27734960 0.79 CHEK1 (0.35)
SCHEMBL4135982 0.72 IL6 (0.44) LRRK2
SCHEMBL27755115 0.72
SCHEMBL27755097 0.70 CHEK1 (0.36)
SCHEMBL27755099 0.66 CHEK1 (0.35)
SCHEMBL27755017 0.65 GRM5 (0.37)
SCHEMBL27755194 0.64 AURKA (0.30)
SCHEMBL5038559 0.62 PGR (0.51)
SCHEMBL4132828 0.60 IL6 (0.59) LRRK2
SCHEMBL27568814 0.60 ALDH1A1 (0.37)

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
CN-101400659-B Novel 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD 2012-02-29 CN disclosed
CN-101400659-A Novel 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD (JP) 2009-04-01 CN disclosed