SCHEMBL25867492

SCHEMBL25867492

CC(C)(C)OC(=O)N[C@H]1CCC[C@H]2CCCCN2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
FPR2 P25090 3/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BTK Q06187 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSK P43235 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
RAMP1 O60894 3/20 0.37
CALCRL Q16602 3/20 0.37

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
SCHEMBL31291969 0.92 FPR2 (0.50) F2F10PRSS1FPR2GAA
SCHEMBL33525505 0.91 FPR2 (0.46) F2F10PRSS1FPR2GAA
SCHEMBL12185691 0.91 FPR2 (0.46) F2F10PRSS1FPR2GAA
SCHEMBL13675582 0.91 FPR2 (0.49) F2F10PRSS1FPR2GAA
SCHEMBL13399243 0.91 FPR2 (0.46) F2F10PRSS1FPR2GAA
SCHEMBL33525685 0.91 FPR2 (0.46) F2F10PRSS1FPR2GAA
SCHEMBL33525732 0.85 FPR2 (0.51) F2F10PRSS1FPR2GAA
SCHEMBL2456099 0.82 GAA (0.46) F2F10PRSS1GAABTK
SCHEMBL5637239 0.82 GAA (0.46) F2F10PRSS1GAABTK
SCHEMBL2456097 0.82 GAA (0.46) F2F10PRSS1GAABTK

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
WO-2023133336-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-07-13 WO disclosed