SCHEMBL3915740

SCHEMBL3915740

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
NPC1 O15118 2/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DAO P14920 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36

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
SCHEMBL4099571 0.94 NPC1 (0.40) KCNA5NPC1GSK3AGSK3BSIGMAR1
SCHEMBL3925802 0.92 KCNA5 (0.50) KCNA5GSK3AGSK3BSIGMAR1MEN1
SCHEMBL3917852 0.88 KCNA5 (0.57) KCNA5GSK3AGSK3BSIGMAR1MEN1
SCHEMBL3920282 0.86 KCNA5 (0.43) KCNA5GSK3AGSK3BSIGMAR1DAO
SCHEMBL3916710 0.85 KCNA5 (0.43) KCNA5GSK3AGSK3BSIGMAR1DAO
SCHEMBL3925563 0.85 KCNA5 (0.44) KCNA5GSK3AGSK3BSIGMAR1DAO
SCHEMBL3926580 0.84 KCNA5 (0.43) KCNA5GSK3AGSK3BSIGMAR1MEN1
SCHEMBL3916295 0.84 KCNA5 (0.46) KCNA5GSK3AGSK3BSIGMAR1MEN1
SCHEMBL3925872 0.84 KCNA5 (0.43) KCNA5GSK3AGSK3BSIGMAR1DAO
SCHEMBL3915932 0.83 KCNA5 (0.60) KCNA5GSK3AGSK3BSIGMAR1MEN1

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 disclosed
WO-2007149874-A1 IMIDAZOLIDINONE KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO disclosed