SCHEMBL8550081

SCHEMBL8550081

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.35
RECQL P46063 2/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 3/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
RAB9A P51151 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 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
SCHEMBL8545671 0.80 ALDH1A1 (0.46) PARP1MAPTALDH1A1GAALMNA
SCHEMBL13294905 0.77 PARP1 (0.51) PARP1MAPTALDH1A1LMNAKDM4E
SCHEMBL727922 0.75 PARP1 (0.53) PARP1MAPTALDH1A1GAARECQL
SCHEMBL30573216 0.75 PARP1 (0.53) PARP1MAPTALDH1A1GAARECQL
SCHEMBL15616865 0.74 PARP1 (0.51) PARP1MAPT
SCHEMBL8549330 0.74 L3MBTL4 (0.45) PARP1ALDH1A1CYP1A2
SCHEMBL9050184 0.70 PARP1 (0.39) PARP1
SCHEMBL21593903 0.67 MAPT (0.56) MAPTALDH1A1GAALMNARECQL
SCHEMBL7484709 0.65 PARP1 (0.39) PARP1ALDH1A1
SCHEMBL736186 0.64 PARP1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736025-B1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-22 EP disclosed
US-5700818-A Dihydrobenzofuranyl-biphenyl carboxamides having 5HT1D antagonistic activity SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-23 US disclosed
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