SCHEMBL13634857

SCHEMBL13634857

CCCNC(=O)c1cc(CN2CCOCC2)ncc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 2/20 0.36
PDE4B Q07343 1/20 0.35
HPGDS O60760 1/20 0.34
SCD O00767 1/20 0.34

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
SCHEMBL13638910 0.94 KMT2A (0.38) GPR6IRAK4OPRK1KMT2APDE4B
SCHEMBL13634753 0.90 OPRK1 (0.39) GPR6IRAK4OPRK1KMT2ASCD
SCHEMBL13634800 0.85 IRAK4 (0.46) GPR6IRAK4OPRK1KMT2AMAPK14
SCHEMBL2772498 0.84 PARP1 (0.43) IRAK4OPRK1KMT2APDE4B
SCHEMBL2770473 0.83 KMT2A (0.44) IRAK4OPRK1KMT2APDE4B
SCHEMBL13634818 0.83 MCHR1 (0.41) GPR6SCD
SCHEMBL13634642 0.82 PARP1 (0.40) GPR6
SCHEMBL13634617 0.82 MCHR1 (0.39) IRAK4OPRK1KMT2APDE4B
SCHEMBL13634885 0.82 GLS (0.41) GPR6OPRK1KMT2ASCD
SCHEMBL13634567 0.81 MCHR1 (0.39) IRAK4OPRK1KMT2APDE4B

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 1 patent. 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