SCHEMBL31599783

SCHEMBL31599783

CC(C)(C)OC(=O)N1CCN(CC(F)F)CC12CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
JAK3 P52333 2/20 0.34
DPP4 P27487 1/20 0.33
MGLL Q99685 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 1/20 0.33
OPRM1 P35372 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
SCHEMBL31599676 0.77 LTA4H (0.33) OPRM1OPRD1OPRK1
SCHEMBL24746627 0.77 CYP2D6 (0.46) USP2SMN1; SMN2MGLL
SCHEMBL2323290 0.76 USP2 (0.50) USP2SMN1; SMN2DPP4CHRM2CHRM4
SCHEMBL18390217 0.75 JAK3 (0.38) USP2SMN1; SMN2GRIN2BGRIN2CJAK3
SCHEMBL31713803 0.75 USP2 (0.36) USP2SMN1; SMN2GRIN2BGRIN2CJAK3
SCHEMBL18497949 0.75 CYP2D6 (0.43) USP2SMN1; SMN2PARP1OPRM1OPRD1
SCHEMBL22230120 0.75 TSHR (0.47) USP2SMN1; SMN2PARP1
SCHEMBL14085918 0.74 NPFFR1 (0.47) USP2ALDH1A1MAPK1OPRD1OPRK1
SCHEMBL18704900 0.74 HRH3 (0.40) USP2SMN1; SMN2GRIN2BGRIN2CJAK3
SCHEMBL23994976 0.74 JAK3 (0.39) USP2SMN1; SMN2GRIN2BGRIN2CJAK3

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-2025111251-A1 COMPOUNDS THAT INHIBIT POLO-LIKE KINASE 4 EXELIXIS, INC. (US) 2025-05-30 WO disclosed