SCHEMBL7477137

SCHEMBL7477137

COC1CN(Nc2ccncc2)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.35
SLC6A4 P31645 11/20 0.35
SLC6A3 Q01959 9/20 0.35
RECQL P46063 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B2 P19099 1/20 0.33
NOX1 Q9Y5S8 1/20 0.31

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
Hydrochloric Acid SCHEMBL7480218 0.99 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3RECQLCYP17A1
SCHEMBL7476313 0.80 NISCH (0.34) CYP19A1
SCHEMBL7481285 0.75 SLC6A2 (0.47) SLC6A2CYP19A1
Hydrochloric Acid SCHEMBL7482061 0.73 SLC6A2 (0.46) SLC6A2CYP19A1
SCHEMBL7477903 0.68 EED (0.54) SLC6A2
SCHEMBL7480365 0.68 CYP19A1 (0.44) CYP19A1
SCHEMBL8586063 0.67 NISCH (0.36) SLC6A2RECQLCYP17A1CYP19A1CYP11B2
SCHEMBL7484317 0.65 NISCH (0.40) SLC6A2
SCHEMBL15355393 0.65 ABHD6 (0.43) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7481922 0.64 CYP19A1 (0.44) CYP19A1

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