SCHEMBL29954046

SCHEMBL29954046

CN(CC=O)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
KDM4E B2RXH2 1/20 0.32
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL29955741 0.84
SCHEMBL29951764 0.82 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL29957698 0.79 ADH1A (0.50) KDM4EADH1CADH1A
SCHEMBL22422788 0.77 TSHR (0.32) NOS3NOS1NOS2ADH1CADH1A
SCHEMBL29957190 0.77 ADH1A (0.54) KDM4EADH1CADH1A
SCHEMBL3938593 0.77 ADH1A (0.54) KDM4EADH1CADH1A
SCHEMBL29956564 0.76 KDM4E (0.33) KDM4EADH1CADH1A
SCHEMBL29957653 0.75 SLC6A2 (0.42) NOS3NOS1NOS2ADH1CADH1A
Hydrochloric Acid SCHEMBL5572628 0.75 NOS3 (0.38) NOS3NOS1NOS2KDM4ESLC6A2
SCHEMBL8851883 0.75 NOS3 (0.38) NOS3NOS1NOS2SLC6A2SLC6A4

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