SCHEMBL3715658

SCHEMBL3715658

Cc1cccc2c(C3=CCN(C(=O)OCC(C)C)CC3)c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
MAPT P10636 9/20 0.48
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
CHEK1 O14757 3/20 0.42
MAP4K4 O95819 3/20 0.42
PIM1 P11309 3/20 0.42
PRKACA P17612 3/20 0.42
CLK2 P49760 3/20 0.42
GSK3B P49841 3/20 0.42
CDK5 Q00535 3/20 0.42
PRKAA1 Q13131 3/20 0.42
ROCK1 Q13464 3/20 0.42
DYRK1A Q13627 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
CHEK2 O96017 2/20 0.42
PRKCG P05129 2/20 0.42
CDK1 P06493 2/20 0.42
FGFR1 P11362 2/20 0.42
RPS6KB1 P23443 2/20 0.42

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
SCHEMBL3715657 0.83 PDK4 (0.56) DRD2MAPTLMNAPOLBPDK4
SCHEMBL3809283 0.82 DRD2 (0.47) DRD2MAPTLMNAPOLBCHEK1
SCHEMBL3809281 0.79 DRD2 (0.48) DRD2MAPTLMNAPOLBTP53
SCHEMBL4664978 0.77 BTK (0.40) DRD2MAPTLMNACHEK1MAP4K4
SCHEMBL4590003 0.77 WDR5 (0.40) MAPTPOLBCHEK1MAP4K4PIM1
SCHEMBL3226626 0.76 MAPT (0.66) DRD2MAPTLMNAPOLBTP53
SCHEMBL4665003 0.76 JAK2 (0.38) DRD2MAPTCHEK1MAP4K4PIM1
SCHEMBL4664786 0.75 BTK (0.39) DRD2MAPTCHEK1MAP4K4PIM1
Potassium Ion SCHEMBL3231230 0.74 MAPT (0.64) DRD2MAPTLMNAPOLBTP53
SCHEMBL4053840 0.73 CHEK1 (0.61) MAPTCHEK1MAP4K4PIM1PRKACA

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-2211618-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS Glaxo Group Limited (GB) 2010-08-04 EP disclosed
WO-2009049113-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed