SCHEMBL7477430

SCHEMBL7477430

COC(=O)N(C)c1ccc2c(c1)CN(Nc1ccncc1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2C P28335 1/20 0.35
GPR142 Q7Z601 2/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
LIPE Q05469 2/20 0.33
HCRTR2 O43614 1/20 0.33
PDE4B Q07343 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL7484039 0.96 MEN1 (0.38) MEN1KMT2AHTR2CGPR142GRIN2D
SCHEMBL7487931 0.82 KMT2A (0.48) MEN1KMT2AHTR2CLIPEHCRTR2
SCHEMBL7477393 0.82 KMT2A (0.48) MEN1KMT2AHTR2CLIPEHCRTR2
SCHEMBL7484538 0.82 KMT2A (0.39) MEN1KMT2AHTR2CGRIN2DGRIN3B
SCHEMBL7477425 0.80 ACHE (0.46) MEN1KMT2ALIPERAB9A
SCHEMBL7489742 0.78 MEN1 (0.39) MEN1KMT2AHTR2CLIPEHCRTR2
SCHEMBL7477389 0.77 KMT2A (0.53) MEN1KMT2AHCRTR2PDE4BKDM4E
SCHEMBL7481472 0.77 GRIN2D (0.34) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL7475137 0.77 KMT2A (0.53) MEN1KMT2AHCRTR2PDE4BKDM4E
SCHEMBL7485133 0.77 DRD1 (0.48) LIPEROCK2DRD4DRD3

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
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP claimed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO claimed
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO disclosed