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SCHEMBL13634695

SCHEMBL13634695

COC(=O)c1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 15/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.40
▸ PDE5A O76074 1/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ SCD O00767 1/20 0.38
▸ MAOB P27338 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
SCHEMBL13270704 0.93 GPR6 (0.44) GPR6PDE5APDE1APDE1BPDE1C
SCHEMBL13634709 0.92 GPR6 (0.46) GPR6SCDMAOB
SCHEMBL13634606 0.89 IRAK4 (0.43) GPR6HRH3PDE5ASCD
SCHEMBL13634598 0.89 HRH3 (0.42) GPR6HRH3SCD
SCHEMBL13634653 0.88 HRH3 (0.41) GPR6HRH3SCD
SCHEMBL13634527 0.87 HRH3 (0.41) GPR6HRH3SCD
SCHEMBL13638934 0.86 SCD (0.49) GPR6HRH3SCD
SCHEMBL13634702 0.86 HRH3 (0.41) GPR6HRH3SCD
SCHEMBL13638935 0.85 SCD (0.44) GPR6HRH3SCD
SCHEMBL13634679 0.82 IRAK4 (0.43) GPR6SCD

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