SCHEMBL8905113

SCHEMBL8905113

COC(=O)CC1Cc2ccccc2N1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MTNR1A P48039 4/20 0.46
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK2 O60674 1/20 0.42
MTNR1B P49286 1/20 0.42
EPHX2 P34913 1/20 0.40
MC4R P32245 2/20 0.40
CREBBP Q92793 2/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL9062941 0.85 MTNR1A (0.60) EGFRGAAMAPTMTNR1AHTT
SCHEMBL6711082 0.85 CYP1A2 (0.49) GAAMAPTMTNR1AHSD17B10CREBBP
SCHEMBL8652436 0.85 MTNR1A (0.60) EGFRGAAMAPTMTNR1AHTT
Hydrochloric Acid SCHEMBL8653028 0.84 MTNR1A (0.59) EGFRGAAMAPTMTNR1AHTT
Hydrochloric Acid SCHEMBL9542889 0.84 GAA (0.44) EGFRGAAMAPTMTNR1AMTNR1B
SCHEMBL7416734 0.83 GAA (0.51) GAAMAPTMTNR1AMTNR1BEPHX2
SCHEMBL7937970 0.81 TSHR (0.51) EGFRMTNR1AHTTHSD17B10JAK2
SCHEMBL5765559 0.81 MTNR1A (0.43) GAAMAPTMTNR1AHSD17B10MTNR1B
SCHEMBL5152873 0.81 GAA (0.57) EGFRGAAMAPTMTNR1AHSD17B10
Hydrochloric Acid SCHEMBL9544373 0.80 GAA (0.56) EGFRGAAMAPTMTNR1AHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616586-A Tricyclic quinoxalinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0642508-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-03-15 EP disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 WO disclosed