SCHEMBL13634790

SCHEMBL13634790

O=C(Nc1cnccc1C(=O)NCCCF)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.41
GPR6 P46095 2/20 0.37
PAICS P22234 1/20 0.37
PIM3 Q86V86 5/20 0.36
PIM2 Q9P1W9 5/20 0.36
CNR1 P21554 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL13634500 0.91 GPR6 (0.42) PIM1GPR6PAICSCNR1PDE10A
SCHEMBL13638762 0.90 PDE10A (0.40) PIM1GPR6PAICSCNR1PDE10A
SCHEMBL13634793 0.88 SCD (0.40) GPR6PAICSCNR1
SCHEMBL13634596 0.86 GPR6 (0.38) PIM1GPR6PAICSCNR1
SCHEMBL13634676 0.85 GPR6 (0.42) PIM1GPR6PAICSCNR1PDE10A
SCHEMBL13634675 0.84 PDE10A (0.48) CNR1PDE10A
SCHEMBL13638871 0.84 TGFBR1 (0.36) PIM1GPR6PAICSCNR1PDE10A
SCHEMBL13634506 0.84 PIM1 (0.39) PIM1PIM3PIM2CNR1
SCHEMBL13634671 0.83 PDE10A (0.46) PIM1GPR6PAICSPIM3PIM2
SCHEMBL13634792 0.83 PDE10A (0.46) PIM1GPR6PAICSPIM3PIM2

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