SCHEMBL21548073

SCHEMBL21548073

CC(C)(C)OC(=O)CN(CCN)CC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.33
NR1H3 Q13133 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL2185396 0.93 NR1D1 (0.35) NR1D1NR1H3
Hydrochloric Acid SCHEMBL6840742 0.91 NR1D1 (0.34) NR1D1NR1H3
SCHEMBL8412077 0.89 NR1D1 (0.34) NR1D1NR1H3
SCHEMBL18362362 0.89 NR1D1 (0.33) NR1D1NR1H3
SCHEMBL2185399 0.86 TDP1 (0.43) NR1D1NR1H3
SCHEMBL3661157 0.83 STING1 (0.31) NR1D1NR1H3
SCHEMBL6534683 0.82 NR1D1 (0.34) NR1D1NR1H3
SCHEMBL7801946 0.81 NR1D1 (0.33) NR1D1NR1H3
SCHEMBL17177620 0.80 TSHR (0.32) NR1D1
SCHEMBL28323579 0.80 NR1D1 (0.30) NR1D1

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
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed