SCHEMBL29950719

SCHEMBL29950719

CC(C)(C)OC(=O)N1CCc2ccc(B(O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.49
DRD2 P14416 2/20 0.49
HTR7 P34969 2/20 0.49
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.44
NOTUM Q6P988 2/20 0.42
KDM1A O60341 1/20 0.41
GPR119 Q8TDV5 8/20 0.39
DHODH Q02127 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
BRD4 O60885 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17799889 0.92 BRD4 (0.43) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL7491697 0.90 GPR119 (0.46) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL29958326 0.90 GPR119 (0.46) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL23063860 0.82 DRD2 (0.52) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL3905057 0.82 ESR2 (0.61) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL15329969 0.82 KDM4E (0.51) ESR2NOTUMGPR119DHODHBRD4
SCHEMBL619008 0.81 DRD2 (0.51) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL31521005 0.81 NR1H2 (0.62) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL595638 0.81 CHRM4 (0.51) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL24874021 0.81 NOTUM (0.43) CHRM4DRD2HTR7NOTUMNPC1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed