SCHEMBL3916295

SCHEMBL3916295

COc1ccc(CCN2C(=O)NCC2(N)c2ccc(C3CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.46
KCNH2 Q12809 3/20 0.46
DRD2 P14416 3/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
KCNA3 P22001 1/20 0.38
CACNA1D Q01668 1/20 0.38
KCNA1 Q09470 1/20 0.38
KCND3 Q9UK17 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 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
SCHEMBL3914435 0.94 KCNA5 (0.42) KCNA5KCNH2DRD2DRD4DRD3
SCHEMBL3925802 0.91 KCNA5 (0.50) KCNA5KCNH2GSK3AGSK3BSIGMAR1
SCHEMBL3916070 0.89 KCNA5 (0.44) KCNA5KCNH2TSHR
SCHEMBL3917852 0.87 KCNA5 (0.57) KCNA5KCNH2GSK3AGSK3BSIGMAR1
SCHEMBL3916710 0.84 KCNA5 (0.43) KCNA5KCNH2DRD2GSK3AGSK3B
SCHEMBL3925563 0.84 KCNA5 (0.44) KCNA5KCNH2GSK3AGSK3BSIGMAR1
SCHEMBL3915740 0.84 KCNA5 (0.44) KCNA5KCNH2GSK3AGSK3BSIGMAR1
SCHEMBL3925872 0.83 KCNA5 (0.43) KCNA5KCNH2GSK3AGSK3BSIGMAR1
SCHEMBL3920282 0.83 KCNA5 (0.43) KCNA5KCNH2GSK3AGSK3BSIGMAR1
SCHEMBL3926580 0.83 KCNA5 (0.43) KCNA5KCNH2GSK3AGSK3BSIGMAR1

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-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