SCHEMBL3914435

SCHEMBL3914435

COc1ccc(CCCN2C(=O)NCC2(N)c2ccc(C3CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.42
KCNH2 Q12809 3/20 0.42
DRD2 P14416 4/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 1/20 0.38
NAAA Q02083 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
SPHK1 Q9NYA1 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL3916295 0.94 KCNA5 (0.46) KCNA5KCNH2DRD2DRD4DRD3
SCHEMBL3916710 0.92 KCNA5 (0.43) KCNA5KCNH2DRD2SIGMAR1
SCHEMBL3916281 0.86 SIGMAR1 (0.48) KCNA5SIGMAR1
SCHEMBL3925802 0.85 KCNA5 (0.50) KCNA5KCNH2SIGMAR1
SCHEMBL4099571 0.84 NPC1 (0.40) KCNA5DRD2SIGMAR1
SCHEMBL3916070 0.83 KCNA5 (0.44) KCNA5KCNH2
SCHEMBL3925223 0.81 KCNA5 (0.49) KCNA5KCNH2NAAA
SCHEMBL3917852 0.81 KCNA5 (0.57) KCNA5KCNH2SIGMAR1
SCHEMBL3918236 0.78 KCNA5 (0.42) KCNA5KCNH2DRD2NAAA
SCHEMBL3915740 0.78 KCNA5 (0.44) KCNA5KCNH2SIGMAR1

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