SCHEMBL2560665

SCHEMBL2560665

C#CCNC(=O)CN1CCC(C=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAOB P27338 2/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL29951726 0.85 HTT (0.39) HTTALDH1A1GAASIGMAR1SMN1; SMN2
SCHEMBL2562763 0.83 HPGD (0.41) ALDH1A1SIGMAR1TDP1KDM4EMAOB
SCHEMBL27731632 0.83 HTT (0.41) HTTALDH1A1GAASIGMAR1SMN1; SMN2
SCHEMBL2556051 0.80 ALDH1A1 (0.46) HTTALDH1A1GAASIGMAR1SMN1; SMN2
SCHEMBL2555207 0.79 HTT (0.37) HTTALDH1A1SIGMAR1SMN1; SMN2KDM4E
SCHEMBL15331209 0.79 ALDH1A1 (0.49) HTTALDH1A1GAASIGMAR1SMN1; SMN2
SCHEMBL2561158 0.79 TLR9 (0.39) HTTALDH1A1GAASIGMAR1SMN1; SMN2
SCHEMBL2282322 0.79 ALDH1A1 (0.60) HTTALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL29953615 0.78 SMN1; SMN2 (0.41) HTTALDH1A1GAASIGMAR1SMN1; SMN2
SCHEMBL29955822 0.78 SIGMAR1 (0.44) HTTALDH1A1GAASIGMAR1SMN1; SMN2

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 7 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed