SCHEMBL13639362

SCHEMBL13639362

COc1cc(OC(=O)c2ccsc2)ccc1-c1ccc2c3c1CN(c1ccccc1OC)N3C(=O)C(C)(C)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
IL6 P05231 8/20 0.36
FAAH O00519 2/20 0.33
DRD3 P35462 2/20 0.33
DRD2 P14416 2/20 0.33
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL13639336 0.91 HCRTR1 (0.37) HTR1AIL6FAAHDRD3DRD2
SCHEMBL14015609 0.89 DRD2 (0.36) HTR1AIL6FAAHDRD3DRD2
SCHEMBL13639363 0.88 KMT2A (0.38) HTR1AIL6FAAHDRD3DRD2
SCHEMBL13639358 0.88 KMT2A (0.37) HTR1AIL6FAAHDRD3DRD2
SCHEMBL14015835 0.87 IL6 (0.39) HTR1AIL6FAAHDRD3DRD2
SCHEMBL14015605 0.87 KMT2A (0.36) HTR1AIL6ALDH1A1KDM4EMAPT
SCHEMBL14015597 0.87 MAPT (0.48) ALDH1A1KDM4EMAPTHSD17B10LMNA
SCHEMBL13639370 0.86 IL6 (0.38) HTR1AIL6FAAHDRD3DRD2
SCHEMBL14878774 0.85 ALOX15 (0.41) HTR1AIL6DRD2HTR7ALDH1A1
SCHEMBL14015535 0.85 ADRA1D (0.36) HTR1AIL6FAAHDRD3DRD2

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