SCHEMBL7323714

SCHEMBL7323714

CN1C(=O)COc2cc([Sn](C)(C)C)cnc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.41
GABRG2 P18507 11/20 0.41
GABRB3 P28472 11/20 0.41
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
GPR55 Q9Y2T6 1/20 0.32
KDM1A O60341 1/20 0.32
GRM4 Q14833 1/20 0.31
GABRA1 P14867 1/20 0.31

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 0.80 GABRA5 (0.46) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL7318495 0.79 GABRG2 (0.43) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL16972862 0.79 GABRG2 (0.43) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL13178859 0.79 GABRG2 (0.43) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL21603212 0.77 GABRA5 (0.46) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL21603242 0.75 GABRA5 (0.45) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL18227101 0.74 TERT (0.44) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL9836345 0.73 CYP11B2 (0.47) CYP11B2CYP11B1
SCHEMBL7324315 0.72 GABRA5 (0.41) GABRA5GABRG2GABRB3CYP11B2CYP11B1
SCHEMBL19154094 0.72 CYP11B2 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906629-A Pyridazinone and pyrazolone compounds, cardiotonic compositions including same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1990-03-06 US disclosed
US-4829066-A CONGESTIVE HEART FAILURE RORER PHARMACEUTICAL CORPORATION (US) 1989-05-09 US disclosed
WO-1988008706-A1 PYRIDOOXAZINONE-PYRIDAZINONE AND PYRAZOLONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1988-11-17 WO disclosed