SCHEMBL2556444

SCHEMBL2556444

CC(C)NC(=O)CN1CCC(C=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.57
CHRM3 P20309 1/20 0.57
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B2 P19099 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL2560276 0.88 ALDH1A1 (0.44) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL2557061 0.88 CHRM5 (0.43) CHRM5CHRM3ALDH1A1HTTTDP1
SCHEMBL29953408 0.86 CHRM5 (0.42) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL2557133 0.85 CHRM5 (0.41) CHRM5CHRM3ALDH1A1HTTTDP1
SCHEMBL2556132 0.84 SIGMAR1 (0.55) CHRM5CHRM3ALDH1A1HTTSMN1; SMN2
SCHEMBL2555804 0.84 HTT (0.45) CHRM5CHRM3ALDH1A1HTTSMN1; SMN2
SCHEMBL2555826 0.84 ALDH1A1 (0.43) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL2556259 0.84 KMT2A (0.43) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL2558609 0.83 CHRM5 (0.49) CHRM5CHRM3ALDH1A1HTTTDP1
SCHEMBL2554957 0.83 CHRM5 (0.39) CHRM5CHRM3ALDH1A1HTTTDP1

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