SCHEMBL7485133

SCHEMBL7485133

COc1ccc2c(c1)CN(Nc1ccncc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.48
DRD5 P21918 8/20 0.48
DRD2 P14416 7/20 0.48
DRD3 P35462 7/20 0.48
DRD4 P21917 5/20 0.47
CYP19A1 P11511 5/20 0.43
ROCK2 O75116 1/20 0.43
CYP11B2 P19099 3/20 0.42
CYP11B1 P15538 1/20 0.42
LIPE Q05469 1/20 0.41

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
SCHEMBL7483867 0.95 DRD1 (0.51) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7483419 0.94 DRD1 (0.50) DRD1DRD5DRD2DRD3DRD4
SCHEMBL7474190 0.89 ROCK2 (0.49) DRD1DRD5DRD2DRD3CYP19A1
SCHEMBL7477503 0.87 DRD1 (0.52) DRD1DRD5DRD2DRD3DRD4
SCHEMBL7477425 0.81 ACHE (0.46) LIPE
SCHEMBL7478927 0.80 HRH3 (0.56)
SCHEMBL7480264 0.80 DRD1 (0.43) DRD1DRD5DRD2DRD3DRD4
SCHEMBL7478486 0.79 KMT2A (0.47) DRD3DRD4
SCHEMBL7476993 0.79 DRD3 (0.52) DRD1DRD5DRD2DRD3DRD4
SCHEMBL8505327 0.78 MEN1 (0.38) DRD1DRD5DRD2DRD3DRD4

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