SCHEMBL3915076

SCHEMBL3915076

COc1ccc(CCN2C(=O)NCC2(NS(=O)(=O)CC(=O)NC2CC2)c2ccc(C3CC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.42
KCNH2 Q12809 6/20 0.42
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
NR3C1 P04150 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
TBXA2R P21731 1/20 0.37

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
SCHEMBL3925882 0.95 CYP3A4 (0.42) KCNA5CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL3919270 0.92 CYP3A4 (0.45) CYP3A4CYP2C9HPGDCYP1A2CYP2D6
SCHEMBL3925144 0.90 KCNA5 (0.45) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3915836 0.89 KCNA5 (0.41) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3925782 0.89 KCNA5 (0.43) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3926610 0.86 KCNA5 (0.47) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3918282 0.85 KCNA5 (0.40) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3926727 0.85 KCNA5 (0.47) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3926333 0.85 KCNA5 (0.45) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3918236 0.85 KCNA5 (0.42) 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 4 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
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