SCHEMBL13639356

SCHEMBL13639356

COc1cc(OC(=O)NC2CCCCC2)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)NC(=O)C(C)(C)N2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.50
TP53 P04637 1/20 0.39
FAAH O00519 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 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
SCHEMBL4581254 0.87 IL6 (0.68) IL6TP53FAAHGRIN1GRIN2B
SCHEMBL13639301 0.87 IL6 (0.60) IL6GRIN1GRIN2B
SCHEMBL1318240 0.85 IL6 (0.46) IL6TP53
SCHEMBL13639328 0.84 IL6 (0.55) IL6
SCHEMBL13460051 0.84 IL6 (0.50) IL6
SCHEMBL13639334 0.83 IL6 (0.54) IL6TP53
SCHEMBL13639320 0.81 IL6 (0.63) IL6GRIN1GRIN2B
SCHEMBL13639310 0.80 IL6 (0.51) IL6TP53
SCHEMBL13639317 0.80 IL6 (0.51) IL6TP53
SCHEMBL13639295 0.79 IL6 (0.53) IL6TP53GRIN1GRIN2B

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-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed