SCHEMBL13634903

SCHEMBL13634903

CCCNC(=O)c1cc(CN2CCO[C@@H]3CCC[C@@H]32)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
DRD4 P21917 1/20 0.35
GLS O94925 1/20 0.35
PARP1 P09874 1/20 0.34
TNK1 Q13470 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PIN1 Q13526 3/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
S1PR1 P21453 1/20 0.32
KMT2A Q03164 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.32
GPR6 P46095 1/20 0.31

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
SCHEMBL13638894 0.95 SCD (0.36) SCDSCD5PARP1TNK1HRH3
SCHEMBL15888681 0.90 SCD (0.33) SCDSCD5PARP1TNK1HRH3
SCHEMBL13634750 0.88 IRAK4 (0.38) SCDSCD5GLSIRAK4KMT2A
SCHEMBL13634566 0.87 SCD (0.35) SCDSCD5GLSIRAK4S1PR1
SCHEMBL13634564 0.87 SCD (0.35) SCDSCD5GLSIRAK4S1PR1
SCHEMBL13634656 0.87 DRD4 (0.41) SCDSCD5DRD4GLSPARP1
SCHEMBL13634657 0.87 DRD4 (0.41) SCDSCD5DRD4GLSPARP1
SCHEMBL13634884 0.87 S1PR1 (0.40) DRD4IRAK4S1PR1KMT2A
SCHEMBL13634906 0.87 SCD (0.38) SCDSCD5GLSPARP1TNK1
SCHEMBL13634725 0.87 DRD4 (0.46) SCDSCD5DRD4GLSPARP1

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