SCHEMBL7210683

SCHEMBL7210683

O=C1Cc2cc(C(=O)CN3CCOCC3)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
HSD17B10 Q99714 1/20 0.54
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
EPHX2 P34913 1/20 0.50
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SMYD3 Q9H7B4 7/20 0.46
PARP1 P09874 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.43
ALDH3A1 P30838 1/20 0.43

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
SCHEMBL5843055 0.88 GRIN2B (0.58) GRIN2BALDH1A1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL10838416 0.88 GRIN2B (0.55) GRIN2BALDH1A1MAPTHSD17B10HTR1A
SCHEMBL7564279 0.87 GRIN2B (0.57) GRIN2BALDH1A1HTR1ADRD2HTR2A
SCHEMBL9825056 0.86 GRIN2B (0.56) GRIN2BALDH1A1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9825181 0.85 GRIN2B (0.55) GRIN2BALDH1A1HTR1ADRD2HTR2A
SCHEMBL9825127 0.82 GRIN2B (0.66) GRIN2BALDH1A1MAPTHTR1ADRD2
SCHEMBL6214174 0.81 POLB (0.53) EPHX2KMT2ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL10682283 0.80 GRIN2B (0.64) GRIN2BALDH1A1MAPTHTR1ADRD2
Hydrochloric Acid SCHEMBL10682276 0.80 GRIN2B (0.64) GRIN2BALDH1A1MAPTHTR1ADRD2
SCHEMBL8302305 0.79 GRIN2B (0.52) GRIN2BALDH1A1MAPTHSD17B10HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 EP disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 US disclosed
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed