SCHEMBL29952365

SCHEMBL29952365

O=C(O)CN1CCC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.40
LTA4H P09960 1/20 0.35
TACR1 P25103 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
SLC6A9 P48067 1/20 0.32
REN P00797 1/20 0.32

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
SCHEMBL29952267 1.00 ACE (0.40) ACELTA4HTACR1HSD17B10HRH3
SCHEMBL6962733 0.81 ALDH1A1 (0.37) ACEHSD17B10POLBL3MBTL1
SCHEMBL23959763 0.81 TSHR (0.37) TACR1POLBL3MBTL1OGFRL1
SCHEMBL500406 0.77 ALDH1A1 (0.48) HSD17B10HRH3POLBL3MBTL1SLC6A9
SCHEMBL472180 0.77 ACE (0.45) ACELTA4HHSD17B10REN
SCHEMBL25202526 0.77 ALDH1A1 (0.48) HSD17B10HRH3POLBL3MBTL1SLC6A9
SCHEMBL472181 0.77 ACE (0.45) ACELTA4HHSD17B10REN
SCHEMBL24307669 0.75 TSHR (0.39) TACR1POLBL3MBTL1
SCHEMBL7763371 0.75 POLB (0.52) ACELTA4HHRH3POLBL3MBTL1
SCHEMBL7882058 0.75 ACE (0.38) ACELTA4HTACR1HSD17B10

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