SCHEMBL28341502

SCHEMBL28341502

CC(C)(C)OC(=O)N1CC(CCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
STS P08842 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
RORC P51449 1/20 0.47
GPR119 Q8TDV5 2/20 0.47
NR1H2 P55055 1/20 0.47
TACR1 P25103 2/20 0.45
BRD4 O60885 1/20 0.45
USP30 Q70CQ3 2/20 0.45
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACKR3 P25106 1/20 0.43
LIPG Q9Y5X9 1/20 0.43

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
SCHEMBL8263539 0.90 KDM4E (0.56) NAMPTJAK2JAK1STSKDM4E
SCHEMBL1912705 0.88 KDM4E (0.62) JAK2JAK1STSKDM4EPKM
SCHEMBL23120360 0.87 NAMPT (0.46) NAMPTJAK2JAK1STSKDM4E
SCHEMBL5327343 0.86 GPR119 (0.48) NAMPTJAK2JAK1STSKDM4E
SCHEMBL23120587 0.86 NAMPT (0.47) NAMPTJAK2JAK1STSKDM4E
SCHEMBL17736150 0.86 NAMPT (0.56) NAMPTJAK2JAK1STSKDM4E
SCHEMBL1573158 0.85 JAK2 (0.46) NAMPTJAK2JAK1STSKDM4E
SCHEMBL1573262 0.85 JAK2 (0.46) NAMPTJAK2JAK1STSKDM4E
SCHEMBL18497493 0.85 NAMPT (0.51) NAMPTJAK2JAK1STSKDM4E
SCHEMBL21381846 0.84 MAPT (0.47) NAMPTKDM4EPKMRORCGPR119

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
CN-110662541-A Polycyclic amines as opioid receptor modulators 王晓冬 2020-01-07 CN disclosed