SCHEMBL8190847

SCHEMBL8190847

CC(C)(C)OC(=O)NNc1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
DDX3X O00571 2/20 0.47
GAA P10253 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGS1 P23219 3/20 0.40
ALOX5 P09917 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL656043 0.84 ALDH1A1 (0.60) ALDH1A1DDX3XSMN1; SMN2RXFP1PTGS1
SCHEMBL29478358 0.84 ALDH1A1 (0.60) ALDH1A1DDX3XSMN1; SMN2RXFP1PTGS1
SCHEMBL31606834 0.83 GAA (0.63) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL8191789 0.83 RXFP1 (0.50) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL13710303 0.82 GAA (0.46) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL8224241 0.82 MAPT (0.50) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL11960857 0.82 P2RX7 (0.47) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL2227784 0.81 GAA (0.47) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL536638 0.81 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL13710304 0.81 GAA (0.51) GAAMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1070490-C Indole derivatives GLAXO WELLCOME SPA (IT) 2001-09-05 CN disclosed
US-6100289-A ADMINISTERING AN ANALGESIC AMOUNT OF EXCITATORY AMINO ACID ANTAGONIST TO MAMMAL GLAXO WELLCOME SPA (IT) 2000-08-08 US disclosed
US-5962496-A CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME SPA (IT) 1999-10-05 US disclosed
US-5760059-A ANTAGONISTS OF EXCITATORY AMINO ACIDS, TREATMENT OF NEURODEGENERATIVE DISEASES GLAXO WELLCOME SPA (IT) 1998-06-02 US disclosed
CN-1133042-A Indole derivatives as NMDA antagonists GLAXO SPA (IT) 1996-10-09 CN disclosed
EP-0723541-A1 INDOLE DERIVATIVES AS NMDA ANTAGONISTS GLAXO WELLCOME S.p.A. (IT) 1996-07-31 EP disclosed
WO-1995010517-A1 INDOLE DERIVATIVES AS NMDA ANTAGONISTS GLAXO WELLCOME S.P.A. (IT) 1995-04-20 WO disclosed