SCHEMBL13639302

SCHEMBL13639302

COc1ccc(Cl)cc1-c1ccc2c(c1COC(=O)C1CC=C(Cl)S1)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.49
HTT P42858 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
LRRK2 Q5S007 1/20 0.30
ADAM17 P78536 1/20 0.30
MPO P05164 1/20 0.30
TPO P07202 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14015805 0.92 IL6 (0.47) IL6HTTHTR2AHTR2CHTR2B
SCHEMBL13639322 0.88 IL6 (0.49) IL6HTTHTR2AHTR2CHTR2B
SCHEMBL13639307 0.84 IL6 (0.59) IL6
SCHEMBL12533076 0.81 IL6 (0.52) IL6
SCHEMBL4580973 0.81 IL6 (0.55) IL6HTR2AHTR2CHTR2BMAPT
SCHEMBL14015559 0.81 IL6 (0.45) IL6MAPT
SCHEMBL4581997 0.80 IL6 (0.51) IL6HTR2AHTR2CHTR2BLMNA
SCHEMBL13639304 0.80 IL6 (0.54) IL6
SCHEMBL4582972 0.80 IL6 (0.53) IL6LMNA
SCHEMBL4581600 0.79 IL6 (0.49) IL6HTR2AHTR2CHTR2BMAPT

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
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
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 EP disclosed