SCHEMBL13634916

SCHEMBL13634916

COC(=O)c1cnccc1NC(=O)c1coc(N2CCC(Oc3nccc(C)n3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 10/20 0.42
ALDH1A1 P00352 1/20 0.37
IRAK4 Q9NWZ3 6/20 0.36
TBK1 Q9UHD2 1/20 0.35
ATR Q13535 1/20 0.35
FGFR1 P11362 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
SCHEMBL13634872 0.93 GPR6 (0.41) GPR6ALDH1A1IRAK4FGFR1
SCHEMBL13634570 0.91 GPR6 (0.40) GPR6ALDH1A1IRAK4FGFR1
SCHEMBL13634635 0.88 PIM1 (0.45) GPR6ALDH1A1IRAK4
SCHEMBL13634508 0.81 ALDH1A1 (0.41) GPR6ALDH1A1FGFR1
SCHEMBL13634504 0.80 PIM1 (0.37) GPR6IRAK4TBK1
SCHEMBL13634676 0.80 GPR6 (0.42) GPR6
SCHEMBL13634835 0.80 PIM1 (0.42) GPR6ALDH1A1
SCHEMBL13634512 0.80 SCD (0.39) GPR6FGFR1
SCHEMBL13634580 0.80 GPR6 (0.36) GPR6FGFR1
SCHEMBL13638814 0.79 PDE10A (0.41) GPR6ALDH1A1

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