SCHEMBL13634943

SCHEMBL13634943

COC[C@@H]1CN(Cc2ccc(NC(=O)c3coc(N4CCOCC4)n3)c(C(=O)OC)c2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
IRAK4 Q9NWZ3 4/20 0.41
DRD4 P21917 8/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
S1PR1 P21453 1/20 0.37
ACHE P22303 1/20 0.37
GALR3 O60755 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 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
SCHEMBL13634900 0.94 GRM2 (0.42) GRM2IRAK4DRD4MAPK1SMN1; SMN2
SCHEMBL13634742 0.91 KMT2A (0.45) GRM2IRAK4DRD4HRH3LMNA
SCHEMBL13634629 0.91 GRM2 (0.40) GRM2IRAK4DRD4SMN1; SMN2HRH3
SCHEMBL13634797 0.83 IRAK4 (0.50) IRAK4MAPK1LMNAMAPT
SCHEMBL13634721 0.80 IRAK4 (0.49) GRM2IRAK4MAPK1MAPT
SCHEMBL13270468 0.79 IRAK4 (0.46) IRAK4MAPK1ACHELMNAMAPT
SCHEMBL13634784 0.75 IRAK4 (0.51) IRAK4SMN1; SMN2LMNAMAPT
SCHEMBL2772428 0.75 SMN1; SMN2 (0.44) IRAK4MAPK1SMN1; SMN2S1PR1ACHE
SCHEMBL13638973 0.74 GRM2 (0.49) GRM2DRD4LMNAMAPT
SCHEMBL13634551 0.73 IRAK4 (0.47) IRAK4

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed