SCHEMBL13638833

SCHEMBL13638833

CO[C@H]1CCN(Cc2ccc(NC(=O)c3csc(N4CC[C@H](OC)C4)n3)c(C(=O)NCCCF)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SCD O00767 2/20 0.37
SCD5 Q86SK9 2/20 0.37
MCHR1 Q99705 2/20 0.35
CNR2 P34972 1/20 0.35
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
PIN1 Q13526 3/20 0.34
PIM1 P11309 4/20 0.34
PIM3 Q86V86 3/20 0.34
PIM2 Q9P1W9 3/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
ACKR3 P25106 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL13634738 0.96 GRM2 (0.35) GRM2PDCD1CD274SCDSCD5
SCHEMBL13270650 0.93 MAPT (0.39) SCDSCD5
SCHEMBL13634767 0.93 SCD (0.37) SCDSCD5CNR2PIN1PIM1
SCHEMBL13638951 0.92 PDCD1 (0.40) GRM2PDCD1CD274SCDSCD5
SCHEMBL13634927 0.91 CNR2 (0.36) SCDSCD5CNR2PIN1PIM1
SCHEMBL13634897 0.90 SCD (0.36) SCDSCD5MCHR1CNR2PIM1
SCHEMBL13634641 0.89 SCD (0.34) GRM2SCDSCD5MCHR1CNR2
SCHEMBL13634557 0.89 S1PR1 (0.42) SCDSCD5CNR2ACKR3DRD4
SCHEMBL13634749 0.89 F10 (0.38) SCDSCD5CNR2PARP1TNK1
SCHEMBL13638824 0.88 KMT2A (0.39) GRM2PDCD1CD274SCDSCD5

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