SCHEMBL9824686

SCHEMBL9824686

O=C1Cc2cc(C(=O)CN3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.50
CRBN Q96SW2 1/20 0.50
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PGR P06401 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL7341405 0.91 GRIN2B (0.51) GRIN2BCRBNHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL7365761 0.89 GRIN2B (0.49) GRIN2BCRBNHTR1AHTR2AHTR7
SCHEMBL11045067 0.82 CRBN (0.57) CRBNKDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL10680012 0.80 MAOB (0.56) GRIN2BKDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9824534 0.80 NR3C1 (0.59) GRIN2BCRBNKDM4ELMNAMEN1
SCHEMBL9825269 0.80 CRBN (0.58) GRIN2BCRBNHTR1ADRD2HTR2A
SCHEMBL5843055 0.80 GRIN2B (0.58) GRIN2BHTR1ADRD2HTR2AHTR2C
SCHEMBL7288177 0.79 GRIN2B (0.57) GRIN2BCRBNHTR1ADRD2HTR2A
SCHEMBL9824610 0.79 KMT2A (0.61) GRIN2BCRBNHTR1ADRD2HTR2A
SCHEMBL7564279 0.79 GRIN2B (0.57) GRIN2BHTR1ADRD2HTR2AHTR2C

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
EP-0168003-B1 OXINDOL COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-03 EP disclosed
US-4737501-A Substituted piperazinyl oxindol compounds and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-04-12 US disclosed
EP-0168003-A1 Oxindol compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 EP disclosed