SCHEMBL3918236

SCHEMBL3918236

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.42
KCNH2 Q12809 10/20 0.42
NAAA Q02083 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNA3 P22001 1/20 0.36
CACNA1D Q01668 1/20 0.36
KCNA1 Q09470 1/20 0.36
KCND3 Q9UK17 1/20 0.36
DRD2 P14416 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 2/20 0.34
HDAC6 Q9UBN7 2/20 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
SCHEMBL3925144 0.95 KCNA5 (0.45) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3925223 0.87 KCNA5 (0.49) KCNA5KCNH2NAAACYP3A4CYP2C9
SCHEMBL3925782 0.86 KCNA5 (0.43) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3915076 0.85 KCNA5 (0.42) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3918282 0.84 KCNA5 (0.40) KCNA5KCNH2NAAACYP3A4CYP2C9
SCHEMBL3926374 0.84 KCNA5 (0.34) KCNA5KCNH2TSHR
SCHEMBL3915836 0.83 KCNA5 (0.41) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3926610 0.83 KCNA5 (0.47) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3917501 0.83 KCNA5 (0.47) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3916694 0.83 KCNA5 (0.44) KCNA5KCNH2CYP3A4CYP2C9KCNA3

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