SCHEMBL13634629

SCHEMBL13634629

COC[C@@H]1CN(Cc2ccc(NC(=O)c3coc(N4CCOCC4)n3)c(C(=O)NC3CCOCC3)c2)CCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
IRAK4 Q9NWZ3 4/20 0.39
MCHR1 Q99705 4/20 0.38
DRD4 P21917 2/20 0.38
MDM2 Q00987 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
S1PR1 P21453 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL13634742 0.91 KMT2A (0.45) GRM2IRAK4DRD4KDM4EKMT2A
SCHEMBL13634900 0.91 GRM2 (0.42) GRM2IRAK4DRD4MDM2SMN1; SMN2
SCHEMBL13634943 0.91 GRM2 (0.42) GRM2IRAK4DRD4SMN1; SMN2S1PR1
SCHEMBL13634551 0.83 IRAK4 (0.47) IRAK4MCHR1KDM4E
SCHEMBL13634550 0.81 IRAK4 (0.46) GRM2IRAK4MCHR1KDM4EF10
SCHEMBL13270595 0.79 IRAK4 (0.44) IRAK4MCHR1F10
SCHEMBL13638815 0.79 MCHR1 (0.43) IRAK4MCHR1DRD4
SCHEMBL13270421 0.79 IRAK4 (0.45) IRAK4MCHR1FLT3TYRO3MERTK
SCHEMBL13634779 0.78 MCHR1 (0.43) IRAK4MCHR1
SCHEMBL13634777 0.77 P2RX3 (0.44) MCHR1FGFR1FGFR2FGFR3

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