SCHEMBL9050184

SCHEMBL9050184

CN(C)CC(=C=O)c1cc(N)cc2c1OCC2

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39

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
SCHEMBL8549330 0.75 L3MBTL4 (0.45) PARP1
SCHEMBL13294905 0.73 PARP1 (0.51) PARP1
SCHEMBL727922 0.71 PARP1 (0.53) PARP1
SCHEMBL30573216 0.71 PARP1 (0.53) PARP1
SCHEMBL15616865 0.70 PARP1 (0.51) PARP1
SCHEMBL8550081 0.70 PARP1 (0.43) PARP1
SCHEMBL8551468 0.69 KCNH2 (0.35) PARP1
SCHEMBL8551471 0.69 KCNH2 (0.35) PARP1
SCHEMBL8551730 0.66 NOS1 (0.34) PARP1
SCHEMBL8545694 0.65 PARP1 (0.31) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736025-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT 1D? ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-10-09 EP disclosed
WO-1995017401-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-06-29 WO disclosed