SCHEMBL13634760

SCHEMBL13634760

CCCNC(=O)c1cc(CC)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.40
PIN1 Q13526 3/20 0.37
HRH3 Q9Y5N1 2/20 0.37
NAPEPLD Q6IQ20 1/20 0.37
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
CHEK1 O14757 2/20 0.36
GPR6 P46095 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
DRD2 P14416 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
SCHEMBL13634751 0.94 GLS (0.39) GLSPIN1HRH3NAPEPLDSCD
SCHEMBL13634924 0.94 GLS (0.39) GLSPIN1HRH3NAPEPLDSCD
SCHEMBL13634918 0.93 GLS (0.39) GLSPIN1HRH3NAPEPLDSCD
SCHEMBL13634578 0.93 GLS (0.39) GLSPIN1HRH3NAPEPLDSCD
SCHEMBL13634579 0.92 GLS (0.38) GLSPIN1HRH3NAPEPLDSCD
SCHEMBL13634663 0.92 GLS (0.38) GLSPIN1HRH3NAPEPLDSCD
SCHEMBL13634667 0.92 GLS (0.38) GLSPIN1HRH3NAPEPLDSCD
SCHEMBL13634886 0.90 ACKR3 (0.38) GLSPIN1SCDSCD5GPR6
SCHEMBL13634906 0.90 SCD (0.38) GLSPIN1HRH3NAPEPLDSCD
SCHEMBL13634884 0.90 S1PR1 (0.40) MAPT

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