SCHEMBL7477903

SCHEMBL7477903

c1ccc2c(c1)CCN(Nc1ccncc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.54
GRIN2D O15399 5/20 0.43
GRIN3B O60391 5/20 0.43
GRIN1 Q05586 5/20 0.43
GRIN2A Q12879 5/20 0.43
GRIN2B Q13224 5/20 0.43
GRIN2C Q14957 5/20 0.43
GRIN3A Q8TCU5 5/20 0.43
CHRM1 P11229 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
LIPE Q05469 4/20 0.42
SLC6A2 P23975 1/20 0.41
NAMPT P43490 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
DRD2 P14416 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
SCHEMBL7481285 0.88 SLC6A2 (0.47) EEDGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7482061 0.86 SLC6A2 (0.46) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7480264 0.80 DRD1 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7479374 0.79 CYP19A1 (0.41) EEDDRD2DRD1DRD5DRD3
Bromide SCHEMBL7480520 0.77 CYP19A1 (0.40) EEDDRD2DRD1DRD5DRD3
SCHEMBL7485133 0.77 DRD1 (0.48) LIPEROCK2DRD2DRD1DRD4
SCHEMBL7483867 0.77 DRD1 (0.51) LIPEROCK2DRD2DRD1DRD4
SCHEMBL7489390 0.76 LIPE (0.61) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7478927 0.76 HRH3 (0.56) GRIN2BPRMT5WDR77
Hydrochloric Acid SCHEMBL7483419 0.76 DRD1 (0.50) LIPEROCK2DRD2DRD1DRD4

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