SCHEMBL4734150

SCHEMBL4734150

CCN(c1ccc(CN(C(=O)c2cc3ccccc3s2)c2ccc(OC)cc2)cc1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CLK1 P49759 4/20 0.48
DYRK1A Q13627 3/20 0.48
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
PDK1 Q15118 4/20 0.42
CLK2 P49760 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3819010 0.76 RNF4 (0.47) KMT2AMEN1DRD2DRD3CHRM2
SCHEMBL4736992 0.76 MEN1 (0.43) KMT2AMEN1DRD2DRD3PDK1
SCHEMBL3824522 0.74 CHRM1 (0.47) KMT2AMEN1DRD2DRD3CHRM2
SCHEMBL3819221 0.74 CHRM2 (0.44) KMT2AMEN1DRD2DRD3CHRM2
SCHEMBL4737523 0.73 ALDH1A1 (0.45) KMT2AMEN1CHRM2CHRM1CHRM3
SCHEMBL4735333 0.72 ALDH1A1 (0.48) KMT2AMEN1DRD2DRD3CHRM2
SCHEMBL4737670 0.71 SMN1; SMN2 (0.46) KMT2AMEN1DRD2DRD3PDK1
SCHEMBL3053871 0.71 CNR2 (0.41) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL27594337 0.70 CNR1 (0.41) DRD2DRD3ALDH1A1
SCHEMBL3819014 0.69 CNR2 (0.46) DRD2DRD3ALDH1A1LMNA

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