SCHEMBL8551471

SCHEMBL8551471

CN(C)CC=Cc1cc(N)cc2c1OCC2

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL8551468 1.00 KCNH2 (0.35) KCNH2PARP1
SCHEMBL736186 0.74 PARP1 (0.42) PARP1
SCHEMBL8551730 0.73 NOS1 (0.34) PARP1
SCHEMBL23363737 0.71 NFE2L2 (0.39) PARP1
SCHEMBL23363740 0.71 NFE2L2 (0.39) PARP1
SCHEMBL9050184 0.69 PARP1 (0.39) PARP1
SCHEMBL7484709 0.69 PARP1 (0.39) PARP1
SCHEMBL8550551 0.69 HTR1B (0.41)
SCHEMBL23363752 0.68 TEAD2 (0.34) PARP1
SCHEMBL23363754 0.68 TEAD2 (0.34) 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