SCHEMBL13639367

SCHEMBL13639367

COc1cc(N(C)C(=O)c2ccccc2)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)NC(=O)C(C)(C)N2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.48
GPBAR1 Q8TDU6 6/20 0.36
MCHR1 Q99705 4/20 0.35
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
KCNH2 Q12809 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
SCHEMBL4581799 0.86 IL6 (0.67) IL6GPBAR1MCHR1KCNH2
SCHEMBL13639320 0.83 IL6 (0.63) IL6
SCHEMBL13639295 0.81 IL6 (0.53) IL6GPBAR1
SCHEMBL13639334 0.81 IL6 (0.54) IL6
SCHEMBL4580939 0.80 IL6 (0.62) IL6GPBAR1
SCHEMBL4579741 0.80 IL6 (0.41) IL6KCNH2
SCHEMBL13639301 0.80 IL6 (0.60) IL6
SCHEMBL4145214 0.80 IL6 (0.46) IL6
SCHEMBL13639310 0.80 IL6 (0.51) IL6
SCHEMBL4143767 0.80 IL6 (0.65) IL6GPBAR1

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