SCHEMBL2563589

SCHEMBL2563589

Cc1nn(CC(=O)NCC(C)C)c(C)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
POLB P06746 2/20 0.41
AGTR1 P30556 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2560067 0.86 MEN1 (0.47) HTTPOLBGAAATMALDH1A1
SCHEMBL15332321 0.84 GAA (0.41) HTTPOLBGAAATMCYP3A4
SCHEMBL2554897 0.83 HTT (0.59) HTTPOLBGAAATMALDH1A1
SCHEMBL2556249 0.82 TSHR (0.42) HTTPOLBGAAATMCYP3A4
SCHEMBL2562893 0.81 RAB9A (0.48) HTTPOLBGAAATMCYP3A4
SCHEMBL2559016 0.81 HTT (0.47) HTTPOLBATMLMNAALDH1A1
SCHEMBL2555624 0.81 GAA (0.38) HTTPOLBGAAATMCYP3A4
SCHEMBL15330117 0.81 GAA (0.38) HTTPOLBGAAATMCYP3A4
SCHEMBL15331266 0.80 MEN1 (0.54) NPSR1GAAATMCYP3A4LMNA
SCHEMBL2559039 0.80 HTT (0.41) HTTPOLBGAACYP3A4LMNA

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