SCHEMBL3918641

SCHEMBL3918641

COc1ccc(CCN2C(=O)NCC2(NCc2cnc3ccccc3c2)c2ccc(C)c(C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.45
FAAH O00519 2/20 0.39
PDE10A Q9Y233 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
USP2 O75604 2/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL3915648 0.88 KCNA5 (0.53) KCNA5MEN1KMT2AATMUSP2
SCHEMBL3920496 0.87 KCNA5 (0.47) KCNA5PDE10ACYP1A2CYP3A4CYP2D6
SCHEMBL3917567 0.85 KCNA5 (0.49) KCNA5MEN1KMT2APOLBMAPT
SCHEMBL3925887 0.85 KCNA5 (0.52) KCNA5MEN1KMT2APOLBMAPT
SCHEMBL3926770 0.85 KCNA5 (0.49) KCNA5MEN1KMT2APOLBALDH1A1
SCHEMBL3915640 0.83 KCNA5 (0.51) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL3918373 0.83 KCNA5 (0.52) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL3916097 0.82 KCNA5 (0.48) KCNA5MEN1KMT2ARXFP1POLB
SCHEMBL3914500 0.82 KCNA5 (0.52) KCNA5MEN1KMT2AATMMAPT
SCHEMBL3915650 0.81 KCNA5 (0.50) KCNA5CYP1A2CYP2C9MEN1KMT2A

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