SCHEMBL2554957

SCHEMBL2554957

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 4/20 0.37
HTT P42858 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.33
SIGMAR1 Q99720 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
SCHEMBL15332839 0.85 HTT (0.37) CHRM5CHRM3ALDH1A1KMT2AHTT
SCHEMBL29953408 0.85 CHRM5 (0.42) CHRM5CHRM3ALDH1A1KMT2AHTT
SCHEMBL2556444 0.83 CHRM5 (0.57) CHRM5CHRM3ALDH1A1KMT2AHTT
SCHEMBL2555826 0.82 ALDH1A1 (0.43) CHRM5CHRM3ALDH1A1KMT2AHTT
SCHEMBL2556259 0.82 KMT2A (0.43) CHRM5CHRM3ALDH1A1KMT2AHTT
SCHEMBL2557061 0.80 CHRM5 (0.43) CHRM5CHRM3ALDH1A1KMT2AHTT
SCHEMBL2555629 0.79 ALDH1A1 (0.40) CHRM5CHRM3ALDH1A1KMT2AHTT
SCHEMBL2555755 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL2557133 0.78 CHRM5 (0.41) CHRM5CHRM3ALDH1A1KMT2AHTT
SCHEMBL2556132 0.77 SIGMAR1 (0.55) CHRM5CHRM3ALDH1A1KMT2AHTT

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