SCHEMBL25326751

SCHEMBL25326751

CC(C)(C)OC(=O)N1CCN(CCOCCOCCOCCOCCOS(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
TLR8 Q9NR97 1/20 0.39
GPR119 Q8TDV5 5/20 0.38
EPHX2 P34913 3/20 0.38
ACKR3 P25106 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
STS P08842 1/20 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
SCHEMBL2074818 0.92 USP2 (0.44) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL213460 0.89 EPHX2 (0.44) USP2SMN1; SMN2CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL20423977 0.88 EPHX2 (0.43) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL15435945 0.83 SMN1; SMN2 (0.44) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL15352136 0.83 USP2 (0.44) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL25678515 0.83 TLR8 (0.46) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL6661328 0.83 USP2 (0.44) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL25905171 0.83 SMN1; SMN2 (0.44) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL22262696 0.83 USP2 (0.44) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL23251655 0.83 USP2 (0.46) USP2SMN1; SMN2CHRM2CHRM4CHRM1

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-2023144053-A1 HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-03 WO disclosed