SCHEMBL29953408

SCHEMBL29953408

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2556259 0.89 KMT2A (0.43) CHRM5CHRM3SIGMAR1GAAALDH1A1
SCHEMBL2556132 0.87 SIGMAR1 (0.55) CHRM5CHRM3SIGMAR1TLR9TLR8
SCHEMBL2556444 0.86 CHRM5 (0.57) CHRM5CHRM3SIGMAR1TLR9TLR8
SCHEMBL2555826 0.86 ALDH1A1 (0.43) CHRM5CHRM3SIGMAR1GAAALDH1A1
SCHEMBL2555629 0.85 ALDH1A1 (0.40) CHRM5CHRM3SIGMAR1GAAALDH1A1
SCHEMBL2554957 0.85 CHRM5 (0.39) CHRM5CHRM3SIGMAR1GAAALDH1A1
SCHEMBL2557061 0.84 CHRM5 (0.43) CHRM5CHRM3SIGMAR1GAAALDH1A1
SCHEMBL29956473 0.83 SIGMAR1 (0.40) CHRM5CHRM3SIGMAR1GAAALDH1A1
SCHEMBL2557133 0.81 CHRM5 (0.41) CHRM5CHRM3SIGMAR1GAAALDH1A1
SCHEMBL24739915 0.79 SIGMAR1 (0.55) CHRM5CHRM3SIGMAR1GAAALDH1A1

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