SCHEMBL4284475

SCHEMBL4284475

COc1ccc(CCN2C(=O)N(N(CCn3ccnc3)C(=O)OC(C)(C)C)CC2c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 15/20 0.42
KCNH2 Q12809 14/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNA3 P22001 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNA1 Q09470 1/20 0.41
KCND3 Q9UK17 1/20 0.41
CYP19A1 P11511 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 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
SCHEMBL2887759 0.92 KCNA5 (0.44) KCNA5KCNH2CYP3A4CYP2C9MEN1
SCHEMBL2882170 0.92 CYP3A4 (0.45) KCNA5KCNH2CYP3A4CYP2C9MEN1
SCHEMBL2885045 0.90 KCNA5 (0.42) KCNA5KCNH2CYP3A4CYP2C9MEN1
SCHEMBL4502188 0.80 CYP3A4 (0.42) KCNA5KCNH2CYP3A4CYP2C9MEN1
SCHEMBL2884875 0.79 KCNA5 (0.53) KCNA5KCNH2CYP3A4CYP2C9MEN1
SCHEMBL4284478 0.79 KCNA5 (0.41) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2884885 0.72 KCNA5 (0.59) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2885945 0.72 KCNA5 (0.57) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882049 0.71 KCNA5 (0.59) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2879884 0.71 KCNA5 (0.62) KCNA5KCNH2CYP3A4CYP2C9KCNA3

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