SCHEMBL3916710

SCHEMBL3916710

COc1ccc(CCCN2C(=O)NCC2(N)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.43
SIGMAR1 Q99720 3/20 0.42
DRD2 P14416 1/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
DAO P14920 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CALM1 P0DP23 1/20 0.38
KCNH2 Q12809 3/20 0.38
KCNJ1 P48048 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL3916281 0.94 SIGMAR1 (0.48) KCNA5SIGMAR1
SCHEMBL3925802 0.93 KCNA5 (0.50) KCNA5SIGMAR1GSK3AGSK3BDAO
SCHEMBL4099571 0.92 NPC1 (0.40) KCNA5SIGMAR1DRD2GSK3AGSK3B
SCHEMBL3914435 0.92 KCNA5 (0.42) KCNA5SIGMAR1DRD2KCNH2
SCHEMBL3917852 0.88 KCNA5 (0.57) KCNA5SIGMAR1GSK3AGSK3BDAO
SCHEMBL3915740 0.85 KCNA5 (0.44) KCNA5SIGMAR1GSK3AGSK3BDAO
SCHEMBL3925563 0.85 KCNA5 (0.44) KCNA5SIGMAR1GSK3AGSK3BDAO
SCHEMBL3926580 0.84 KCNA5 (0.43) KCNA5SIGMAR1GSK3AGSK3BDAO
SCHEMBL3916295 0.84 KCNA5 (0.46) KCNA5SIGMAR1DRD2GSK3AGSK3B
SCHEMBL3925872 0.84 KCNA5 (0.43) KCNA5SIGMAR1GSK3AGSK3BDAO

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-2035392-A1 IMIDAZOLE KV1. 5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP claimed
WO-2007149874-A1 IMIDAZOLIDINONE KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO claimed
EP-2035392-A1 IMIDAZOLE KV1. 5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP disclosed
WO-2007149874-A1 IMIDAZOLIDINONE KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO disclosed