SCHEMBL4099571

SCHEMBL4099571

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
SIGMAR1 Q99720 7/20 0.39
KCNA5 P22460 2/20 0.39
MEN1 O00255 1/20 0.37
EPHX2 P34913 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 1/20 0.36
S1PR1 P21453 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 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
SCHEMBL3915740 0.94 KCNA5 (0.44) NPC1SIGMAR1KCNA5MEN1EPHX2
SCHEMBL3916710 0.92 KCNA5 (0.43) SIGMAR1KCNA5DRD2GSK3AGSK3B
SCHEMBL3916281 0.87 SIGMAR1 (0.48) SIGMAR1KCNA5ALDH1A1LMNA
SCHEMBL3925802 0.85 KCNA5 (0.50) SIGMAR1KCNA5MEN1KMT2AGSK3A
SCHEMBL3914435 0.84 KCNA5 (0.42) SIGMAR1KCNA5DRD2
SCHEMBL3917852 0.81 KCNA5 (0.57) SIGMAR1KCNA5MEN1KMT2AGSK3A
SCHEMBL3920282 0.80 KCNA5 (0.43) SIGMAR1KCNA5GSK3AGSK3BALDH1A1
SCHEMBL3925563 0.79 KCNA5 (0.44) SIGMAR1KCNA5GSK3AGSK3BALDH1A1
SCHEMBL3916295 0.78 KCNA5 (0.46) SIGMAR1KCNA5MEN1RAB9AKMT2A
SCHEMBL3925872 0.78 KCNA5 (0.43) SIGMAR1KCNA5GSK3AGSK3B

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