SCHEMBL3917852

SCHEMBL3917852

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.57
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DAO P14920 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KCNJ1 P48048 1/20 0.39
BRD4 O60885 1/20 0.39
BRDT Q58F21 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL3925802 0.95 KCNA5 (0.50) KCNA5GSK3AGSK3BSIGMAR1KCNH2
SCHEMBL3914491 0.91 KCNA5 (0.49) KCNA5KCNH2ALDH1A1LMNAKCNJ1
SCHEMBL3916710 0.88 KCNA5 (0.43) KCNA5GSK3AGSK3BSIGMAR1KCNH2
SCHEMBL3915932 0.88 KCNA5 (0.60) KCNA5GSK3AGSK3BSIGMAR1KCNH2
SCHEMBL3915740 0.88 KCNA5 (0.44) KCNA5GSK3AGSK3BSIGMAR1KCNH2
SCHEMBL3925563 0.88 KCNA5 (0.44) KCNA5GSK3AGSK3BSIGMAR1KCNH2
SCHEMBL3920282 0.87 KCNA5 (0.43) KCNA5GSK3AGSK3BSIGMAR1KCNH2
Hydrochloric Acid SCHEMBL3918248 0.87 KCNA5 (0.59) KCNA5GSK3AGSK3BSIGMAR1KCNH2
SCHEMBL3916295 0.87 KCNA5 (0.46) KCNA5GSK3AGSK3BSIGMAR1KCNH2
SCHEMBL3925872 0.87 KCNA5 (0.43) KCNA5GSK3AGSK3BSIGMAR1KCNH2

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