SCHEMBL7480200

SCHEMBL7480200

CN(C)C(=O)Oc1cccc2c1CN(Nc1ccncc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.41
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LIPE Q05469 3/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
BCHE P06276 1/20 0.37

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
Fumaric Acid SCHEMBL7480472 0.94 SLC6A2 (0.39) ACHEDRD2KDM4ELIPEMAOA
Fumaric Acid SCHEMBL7480474 0.94 SLC6A2 (0.39) ACHEDRD2KDM4ELIPEMAOA
SCHEMBL7483738 0.90 ACHE (0.40) ACHEKDM4EMAOAMAOBBCHE
SCHEMBL7484619 0.83 BCHE (0.38) ACHEDRD2LIPEMAOAMAOB
SCHEMBL7482205 0.83 DRD2 (0.46) DRD2LIPE
SCHEMBL7479797 0.82 PKM (0.40) ACHEMAOAMAOB
SCHEMBL7481472 0.82 GRIN2D (0.34) DRD2KDM4ELIPE
SCHEMBL7484036 0.80 ACHE (0.43) ACHELIPEBCHE
SCHEMBL7477425 0.80 ACHE (0.46) ACHELIPEBCHE
SCHEMBL7477389 0.80 KMT2A (0.53) ACHEKDM4EMAOAMAOBBCHE

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-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