SCHEMBL8865686

SCHEMBL8865686

CCC1CN(C(C)OC)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.36
MAOA P21397 1/20 0.35
GRM2 Q14416 7/20 0.32
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
CTSF Q9UBX1 1/20 0.31
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL10551310 0.85 HTR2B (0.35) HTR2BMAOAGRM2CTSVCTSL
SCHEMBL10545924 0.85 HTR2B (0.35) HTR2BMAOAGRM2CTSVCTSL
SCHEMBL10549255 0.83 HTR2B (0.34) HTR2BMAOAGRM2MAPK1L3MBTL1
SCHEMBL13647701 0.82 HTR2B (0.48) HTR2BMAOAGRM2
SCHEMBL14116945 0.82 HTR2B (0.48) HTR2BMAOAGRM2
SCHEMBL10549013 0.80 SMN1; SMN2 (0.39) HTR2BGRM2MAPK1L3MBTL1
SCHEMBL10547493 0.79 HTR2B (0.37) HTR2BMAOAGRM2
SCHEMBL8867264 0.77 GRM2 (0.36) GRM2
SCHEMBL14168217 0.69
SCHEMBL12575359 0.69

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-5700946-A ONE STEP CATALYTIC DEHYDROGENATION PROCESS OF N-(1-ALKOXYALKYL) COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 1997-12-23 US disclosed
US-4831153-A PYROLYZING (N-(1-HYDROXYALKYL) OR N-(1-HYDROCARBYLOXYALKYL))-2-OXAZOLIDINONE THE DOW CHEMICAL COMPANY (US) 1989-05-16 US disclosed