SCHEMBL21352374

SCHEMBL21352374

CC(C)(C)OC(=O)N1CCC(c2ccccc2B(O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.55
NAMPT P43490 1/20 0.52
KDM4E B2RXH2 2/20 0.51
THRB P10828 2/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.50
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
HPGDS O60760 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STS P08842 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL21352382 0.92 GPR119 (0.50) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL21352395 0.88 GPR119 (0.47) GPR119NAMPTKDM4EPKMHPGDS
SCHEMBL3436365 0.86 GPR119 (0.58) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL21352380 0.86 HPGDS (0.50) GPR119MAPTHPGDSMEN1KMT2A
SCHEMBL1613087 0.85 GPR119 (0.56) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL21953943 0.85 GPR119 (0.56) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL30749320 0.84 GPR119 (0.53) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL2102993 0.84 GPR119 (0.53) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL21885666 0.84 GPR119 (0.55) GPR119NAMPTKDM4ETHRBMAPT
SCHEMBL73493 0.84 GPR119 (0.55) GPR119NAMPTKDM4ETHRBMAPT

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 2 patents. 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
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed