SCHEMBL7324315

SCHEMBL7324315

CC(=O)Cc1cnc2c(c1)OCC(=O)N2C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.41
GABRG2 P18507 11/20 0.41
GABRB3 P28472 11/20 0.41
GRM5 P41594 4/20 0.38
GABRA1 P14867 1/20 0.37
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
KDM1A O60341 1/20 0.34
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL46323 0.76 GABRA5 (0.46) GABRA5GABRG2GABRB3GABRA1CYP11B2
SCHEMBL7404024 0.76 CYP11B2 (0.44) CYP11B2CYP11B1
SCHEMBL21603212 0.75 GABRA5 (0.46) GABRA5GABRG2GABRB3GRM5GABRA1
SCHEMBL13178859 0.75 GABRG2 (0.43) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL7318495 0.75 GABRG2 (0.43) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL16972862 0.75 GABRG2 (0.43) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL21603242 0.74 GABRA5 (0.45) GABRA5GABRG2GABRB3GRM5GABRA1
SCHEMBL10929292 0.73 PDE3B (0.45) GABRA5GABRA1TSHRHTT
SCHEMBL7323714 0.72 GABRA5 (0.41) GABRA5GABRG2GABRB3GABRA1CYP11B2
SCHEMBL7328560 0.71 GABRG2 (0.36) GABRA5GABRG2GABRB3CYP11B2CYP11B1

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-0357675-A4 PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES 1992-01-15 EP disclosed
WO-1991006300-A1 NAPHTHERIDINONE- AND PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING SAME, AND THEIR USES RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-05-16 WO disclosed
US-5015638-A Cardiovascular disorders, cardiotonic agents for congestive he art failure RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-05-14 US disclosed
EP-0357675-A1 PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-03-14 EP disclosed
US-4866074-A Naphtheridinone- and pyridooxazinone-pyridone compounds, cardiotonic compositions including same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1989-09-12 US disclosed
US-4822794-A Pyridooxazinone-pyridone compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1989-04-18 US disclosed
WO-1988008705-A1 PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1988-11-17 WO disclosed