SCHEMBL7472586

SCHEMBL7472586

CNC1CCc2cccnc2C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
DRD4 P21917 1/20 0.48
GRIN2B Q13224 5/20 0.47
GRIN1 Q05586 4/20 0.47
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.39
PDPK1 O15530 1/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
CYP2D6 P10635 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL8783295 0.80 GRIN1 (0.54) DRD2DRD3DRD4GRIN2BGRIN1
SCHEMBL3311831 0.80 MTNR1A (0.64) GRIN2BGRIN1MAPK1MTNR1AMTNR1B
SCHEMBL8783223 0.80 GRIN2B (0.50) DRD2DRD3DRD4GRIN2BGRIN1
SCHEMBL9449692 0.80 GRIN2B (0.50) DRD2DRD3GRIN2BGRIN1MAOA
SCHEMBL14207337 0.79 GRIN2B (0.51) DRD2DRD3GRIN2BGRIN1MAOA
SCHEMBL12891737 0.77 DRD2 (0.44) DRD2DRD3GRIN2BGRIN1CYP2D6
SCHEMBL30666578 0.77 DRD2 (0.44) DRD2DRD3GRIN2BGRIN1CYP2D6
SCHEMBL12891739 0.77 DRD2 (0.44) DRD2DRD3GRIN2BGRIN1CYP2D6
SCHEMBL10016895 0.77 DRD2 (0.44) DRD2DRD3GRIN2BGRIN1CYP2D6
SCHEMBL8783373 0.77 GAA (0.50) DRD2DRD3GRIN2BGRIN1MAOA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395244-B1 Pyridine derivatives WYETH JOHN & BROTHER LTD (GB) 1997-02-19 EP claimed
EP-0395244-A1 Pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP claimed
EP-0689534-B1 AMIDE DERIVATIVES AS 5-HT 1A? LIGANDS WYETH JOHN & BROTHER LTD (GB) 2002-10-02 EP disclosed
EP-0687257-B1 4-AMINO-2-(HETERO)ARYL-BUTANAMIDES USEFUL AS 5-HT1A-ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 1997-06-18 EP disclosed
US-5629323-A Amide derivatives as 5-HT1A ligands JOHN WYETH & BROTHER, LTD. (GB) 1997-05-13 US disclosed
US-5610295-A 4-amino-2-(hetero)aryl-butanamides useful as 5-HT1A -antagonists JOHN WYETH & BROTHER, LTD. (GB) 1997-03-11 US disclosed
EP-0395244-B1 Pyridine derivatives WYETH JOHN & BROTHER LTD (GB) 1997-02-19 EP disclosed
EP-0689534-A1 AMIDE DERIVATIVES AS 5-HT 1A? LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1996-01-03 EP disclosed
EP-0687257-A1 4-AMINO-2-(HETERO)ARYL-BUTANAMIDES USEFUL AS 5-HT1A-ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 1995-12-20 EP disclosed
WO-1994021611-A1 AMIDE DERIVATIVES AS 5-HT1A LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1994-09-29 WO disclosed
WO-1994020481-A1 4-AMINO-2-(HETERO)ARYL-BUTANAMIDES USEFUL AS 5-HT1A-ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1994-09-15 WO disclosed
US-5194439-A 5-HT Agonists or Antagonists, Nervous System Disorders, Hypotensive Agents JOHN WYETH & BROTHER LIMITED (GB) 1993-03-16 US disclosed
US-5075303-A Central nervous system disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-12-24 US disclosed
EP-0395244-A1 Pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP disclosed