SCHEMBL8904624

SCHEMBL8904624

CCOC(=O)CCC1CCc2ccccc2N1C(=O)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
MTNR1A P48039 5/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8904621 0.90 NOTUM (0.49) NOTUMMTNR1AMEN1KMT2AALDH1A1
SCHEMBL8905262 0.81 MTNR1A (0.41) NOTUMMTNR1AMEN1KMT2AALDH1A1
SCHEMBL8905128 0.79 ALDH1A1 (0.45) NOTUMALDH1A1GAAL3MBTL1NPSR1
SCHEMBL11756352 0.75 MTNR1A (0.48) NOTUMMTNR1AMEN1KMT2AALDH1A1
SCHEMBL8905306 0.74 ALDH1A1 (0.52) NOTUMMEN1KMT2AALDH1A1GAA
SCHEMBL25268555 0.73 NOTUM (0.45) NOTUMALDH1A1L3MBTL1MAPTTSHR
SCHEMBL26103110 0.73 NOTUM (0.45) NOTUMALDH1A1L3MBTL1MAPTTSHR
SCHEMBL14229139 0.72 MTNR1A (0.48) MTNR1AL3MBTL1TSHRPKM
SCHEMBL7831498 0.71 POLB (0.56) NOTUMMEN1KMT2AALDH1A1GAA
SCHEMBL11622288 0.71 NOTUM (0.47) NOTUMMTNR1AMEN1KMT2AALDH1A1

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