SCHEMBL4284478

SCHEMBL4284478

COc1ccc(CCN2C(=O)N(N(CC(n3ccnc3)C(C)(C)C)C(=O)O)CC2c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 17/20 0.41
KCNH2 Q12809 15/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNA3 P22001 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNA1 Q09470 1/20 0.40
KCND3 Q9UK17 1/20 0.40
OPRK1 P41145 1/20 0.36
CYP19A1 P11511 2/20 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
SCHEMBL2887759 0.86 KCNA5 (0.44) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882170 0.80 CYP3A4 (0.45) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2885045 0.80 KCNA5 (0.42) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL4284475 0.79 KCNA5 (0.42) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2884875 0.72 KCNA5 (0.53) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2885945 0.72 KCNA5 (0.57) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2884885 0.72 KCNA5 (0.59) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL4502188 0.71 CYP3A4 (0.42) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2882049 0.70 KCNA5 (0.59) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL2879884 0.70 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