SCHEMBL3915650

SCHEMBL3915650

COc1ccc(CCN2C(=O)NCC2(NCc2ccc(C#N)cc2)c2ccc(C)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.50
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
GSK3B P49841 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
VNN1 O95497 1/20 0.35
CNR1 P21554 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 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
SCHEMBL3915648 0.89 KCNA5 (0.53) KCNA5KCNH2MEN1HTTKMT2A
SCHEMBL3918373 0.88 KCNA5 (0.52) KCNA5KCNH2MEN1HTTKMT2A
SCHEMBL3925887 0.88 KCNA5 (0.52) KCNA5KCNH2MEN1HTTKMT2A
SCHEMBL3915640 0.87 KCNA5 (0.51) KCNA5KCNH2MEN1HTTKMT2A
SCHEMBL3926770 0.84 KCNA5 (0.49) KCNA5MEN1HTTKMT2ALMNA
SCHEMBL3916097 0.84 KCNA5 (0.48) KCNA5KCNH2MEN1HTTKMT2A
SCHEMBL3917567 0.83 KCNA5 (0.49) KCNA5KCNH2MEN1HTTKMT2A
SCHEMBL3914500 0.83 KCNA5 (0.52) KCNA5KCNH2MEN1KMT2AMAPT
SCHEMBL3925151 0.83 KCNA5 (0.52) KCNA5KCNH2MEN1HTTKMT2A
SCHEMBL3918641 0.81 KCNA5 (0.45) KCNA5MEN1HTTKMT2AMAPT

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