SCHEMBL13634900

SCHEMBL13634900

COC[C@@H]1CN(Cc2ccc(NC(=O)c3coc(N4CCOCC4)n3)c(C(=O)O)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 11/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ACHE P22303 1/20 0.38
GALR3 O60755 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL13634943 0.94 GRM2 (0.42) GRM2IRAK4DRD4HRH3ACHE
SCHEMBL13634742 0.91 KMT2A (0.45) GRM2IRAK4DRD4HRH3LMNA
SCHEMBL13634629 0.91 GRM2 (0.40) GRM2IRAK4DRD4HRH3SMN1; SMN2
SCHEMBL13634784 0.80 IRAK4 (0.51) IRAK4LMNAMAPTSMN1; SMN2
SCHEMBL13634699 0.79 IRAK4 (0.50) GRM2IRAK4ACHEMAPT
SCHEMBL13270469 0.77 IRAK4 (0.47) IRAK4ACHE
SCHEMBL13634797 0.76 IRAK4 (0.50) IRAK4LMNAMAPTMAPK1
SCHEMBL13634781 0.75 GPR6 (0.40) IRAK4ACHE
SCHEMBL13634721 0.74 IRAK4 (0.49) GRM2IRAK4MAPTMAPK1
SCHEMBL13162596 0.73 DRD4 (0.50) GRM2DRD4

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