SCHEMBL29952368

SCHEMBL29952368

COCCN(CC=O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
KCNH2 Q12809 1/20 0.30
CHIT1 Q13231 1/20 0.30
CHIA Q9BZP6 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
SCHEMBL29955052 0.85 SLC6A2 (0.33) SLC6A2SLC6A4ADH1CADH1AADH4
SCHEMBL29952129 0.77 ADH1A (0.45) ADH1CADH1AADH4
SCHEMBL24429364 0.75 SLC6A2 (0.36) SLC6A2SLC6A4KCNH2CHIT1CHIA
SCHEMBL9124846 0.74 CHI3L1 (0.36) SLC6A2SLC6A4KCNH2CHIT1CHIA
SCHEMBL18248893 0.73 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2CHIT1CHIA
SCHEMBL29957217 0.73 ADH1A (0.48) SLC6A2SLC6A4ADH1CADH1AADH4
SCHEMBL22200611 0.73 SLC6A2 (0.35) SLC6A2SLC6A4KCNH2CHIT1CHIA
SCHEMBL24429366 0.73 SLC6A2 (0.35) SLC6A2SLC6A4KCNH2CHIT1CHIA
SCHEMBL22200610 0.72 SLC6A2 (0.37) SLC6A2SLC6A4ADH1CADH1AKCNH2
SCHEMBL29951894 0.72 ADH1C (0.31) ADH1CADH1AADH4

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