SCHEMBL14878802

SCHEMBL14878802

CNc1ccc(-c2ccc3c(c2COc2cc(F)ccc2C)N(C)C(=O)C(C)(C)N3)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.74
GRIN1 Q05586 11/20 0.35
GRIN2B Q13224 11/20 0.35
HTR2C P28335 1/20 0.33

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
SCHEMBL4134613 0.93 IL6 (0.84) IL6GRIN1GRIN2BHTR2C
SCHEMBL4580423 0.91 IL6 (0.72) IL6GRIN1GRIN2B
SCHEMBL447694 0.91 IL6 (0.70) IL6GRIN1GRIN2B
SCHEMBL4582012 0.90 IL6 (0.79) IL6GRIN1GRIN2BHTR2C
SCHEMBL1917741 0.89 IL6 (0.89) IL6GRIN1GRIN2BHTR2C
SCHEMBL4581163 0.89 IL6 (0.82) IL6GRIN1GRIN2BHTR2C
SCHEMBL4127299 0.89 IL6 (0.82) IL6HTR2C
SCHEMBL13639359 0.89 IL6 (0.69) IL6GRIN1GRIN2B
SCHEMBL4129581 0.88 IL6 (0.76) IL6GRIN1GRIN2BHTR2C
SCHEMBL4580821 0.88 IL6 (0.76) IL6GRIN1GRIN2BHTR2C

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-2151436-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2013-04-24 EP disclosed