SCHEMBL3715657

SCHEMBL3715657

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.56
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
HTR6 P50406 1/20 0.52
GRM1 Q13255 6/20 0.51
GRM5 P41594 5/20 0.51

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
SCHEMBL6381564 0.89 PDK4 (0.55) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL6385405 0.89 PDK4 (0.55) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL3715280 0.89 PDK4 (0.55) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL3809281 0.87 DRD2 (0.48) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL19284578 0.85 PDK4 (0.65) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL7916133 0.84 MAPT (0.60) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL31285862 0.84 MAPT (0.60) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL21855632 0.83 PDK4 (0.67) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL31150581 0.83 PDK4 (0.67) PDK4GABRPGABRDGABRA1GABRB1
SCHEMBL3436385 0.83 PDK4 (0.69) PDK4HTR6GRM1GRM5JAK1

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-2211618-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS Glaxo Group Limited (GB) 2010-08-04 EP disclosed
WO-2010080873-A1 OXAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2010-07-15 WO disclosed
WO-2009049113-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed
WO-2009049113-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed