SCHEMBL8557778

SCHEMBL8557778

Cc1nn(C2CCN(C)CC2)c(NC(=O)OC(C)(C)C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
NR3C1 P04150 4/20 0.35
SSTR4 P31391 4/20 0.33
DRD2 P14416 1/20 0.33
KCNA3 P22001 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
ALOX15 P16050 1/20 0.32
LPAR1 Q92633 1/20 0.32
P2RX7 Q99572 1/20 0.32
PDE7A Q13946 1/20 0.32

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
SCHEMBL8555742 0.88 PLAT (0.36) CTSKNR3C1KCNA3JAK3BTK
SCHEMBL8555714 0.82 NR3C1 (0.45) NR3C1DRD2KCNA3P2RX7
SCHEMBL8553207 0.71 P2RY12 (0.42) NR3C1
SCHEMBL8557781 0.70
SCHEMBL8553968 0.70 ALOX15 (0.48) CTSKPOLBNR3C1JAK3BTK
SCHEMBL31082113 0.70 KMT2A (0.34) CTSKBTK
SCHEMBL31081835 0.70 KMT2A (0.34) CTSKBTK
SCHEMBL18300633 0.66 DGAT1 (0.41) CTSK
SCHEMBL31735465 0.64 PDE7A (0.39) POLBNR3C1PDE7A
SCHEMBL21115006 0.64 GPR119 (0.39) BTK

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
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed