SCHEMBL3916281

SCHEMBL3916281

COc1ccc(C2(N)CNC(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
OPRM1 P35372 1/20 0.42
SOAT1 P35610 2/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KCNA5 P22460 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3916710 0.94 KCNA5 (0.43) SIGMAR1KCNA5
SCHEMBL4099571 0.87 NPC1 (0.40) SIGMAR1ALDH1A1KCNA5LMNA
SCHEMBL3925802 0.87 KCNA5 (0.50) SIGMAR1ALDH1A1KCNA5
SCHEMBL3914435 0.86 KCNA5 (0.42) SIGMAR1KCNA5
SCHEMBL3917852 0.83 KCNA5 (0.57) SIGMAR1ALDH1A1MAPTKCNA5LMNA
SCHEMBL3925563 0.80 KCNA5 (0.44) SIGMAR1ALDH1A1KDM4EMAPTKCNA5
SCHEMBL3915740 0.80 KCNA5 (0.44) SIGMAR1ALDH1A1KCNA5LMNA
SCHEMBL3920282 0.79 KCNA5 (0.43) SIGMAR1CHRM5ALDH1A1KCNA5LMNA
SCHEMBL3916295 0.79 KCNA5 (0.46) SIGMAR1KCNA5
SCHEMBL3925872 0.79 KCNA5 (0.43) SIGMAR1KCNA5

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