SCHEMBL8911334

SCHEMBL8911334

CN1CCN(c2cc3c(cc2C(F)(F)F)[nH]c(=O)c2n[nH]c(=O)n23)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
RIOK2 Q9BVS4 2/20 0.38
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 0.35
ASIC3 Q9UHC3 1/20 0.35

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
SCHEMBL8910771 0.89 NOTUM (0.41) RIOK2GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911380 0.87 NOTUM (0.45) PDE3BPDE3ARIOK2
SCHEMBL8911468 0.78 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911793 0.77 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911174 0.77 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911163 0.77 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7347889 0.77 PARP1 (0.39) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8364825 0.77 GRIA1 (0.39) PDE3BPDE3AGRIA1GRIA2GRIA3
SCHEMBL8912871 0.77 NOTUM (0.39) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912056 0.77 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP claimed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US claimed
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP disclosed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US disclosed
EP-0698024-A1 1,2,4]TRIAZOLO 4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-02-28 EP disclosed
WO-1994026746-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-11-24 WO disclosed