SCHEMBL13634818

SCHEMBL13634818

CCCNC(=O)c1cc(CN2CCC(F)CC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
GPR6 P46095 2/20 0.39
UTS2R Q9UKP6 1/20 0.39
PARP1 P09874 1/20 0.39
TNK1 Q13470 1/20 0.39
GLS O94925 1/20 0.38
ACKR3 P25106 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
GSK3B P49841 1/20 0.36
SCD O00767 1/20 0.36
F10 P00742 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
SCHEMBL13634522 0.96 GPR6 (0.39) MCHR1GPR6UTS2RPARP1TNK1
SCHEMBL13634705 0.95 GPR6 (0.39) MCHR1GPR6UTS2RPARP1TNK1
SCHEMBL13638826 0.94 MCHR1 (0.40) MCHR1UTS2RPARP1TNK1ACKR3
SCHEMBL13634642 0.94 PARP1 (0.40) MCHR1GPR6UTS2RPARP1TNK1
SCHEMBL13634861 0.92 MCHR1 (0.38) MCHR1GPR6UTS2RPARP1TNK1
SCHEMBL13634704 0.92 MCHR1 (0.38) MCHR1GPR6UTS2RPARP1TNK1
SCHEMBL13634618 0.92 GPR6 (0.38) MCHR1GPR6UTS2RPARP1TNK1
SCHEMBL13634687 0.92 GPR6 (0.38) MCHR1GPR6UTS2RPARP1TNK1
SCHEMBL13634885 0.91 GLS (0.41) MCHR1GPR6GLSSCD
SCHEMBL13634583 0.90 GLS (0.39) MCHR1GPR6PARP1TNK1GLS

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