SCHEMBL4737583

SCHEMBL4737583

CC(C)(C)C1CCC(Nc2ccc(CN(C(=O)c3cccnc3)c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
MAPK14 Q16539 5/20 0.46
PDK1 Q15118 3/20 0.45
HTT P42858 1/20 0.40
CCNT1 O60563 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CXCR2 P25025 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 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
SCHEMBL4735448 0.90 MAPK14 (0.55) GAATSHRMAPK14PDK1HTT
SCHEMBL3058152 0.79 CYP11B1 (0.43) MAPK14PDK1CCNT1POLB
SCHEMBL4738966 0.79 GAA (0.54) GAATSHRMAPK14PDK1HTT
SCHEMBL3826441 0.79 MAPK14 (0.49) MAPK14PDK1
SCHEMBL4737668 0.77 GAA (0.56) GAATSHRMAPK14PDK1HTT
SCHEMBL4737592 0.77 GAA (0.56) GAATSHRMAPK14PDK1HTT
SCHEMBL4786167 0.77 GAA (0.51) GAATSHRMAPK14PDK1HTT
SCHEMBL4737107 0.76 GAA (0.58) GAATSHRMAPK14PDK1HTT
SCHEMBL4735056 0.76 GAA (0.50) GAATSHRMAPK14PDK1HTT
SCHEMBL4738239 0.75 TSHR (0.49) GAATSHRMAPK14PDK1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed