SCHEMBL2556726

SCHEMBL2556726

O=CC1CCN(CC(=O)NC2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.46
CHRM5 P08912 3/20 0.46
CHRM3 P20309 2/20 0.46
ALDH1A1 P00352 5/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
CHRM1 P11229 2/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL29956260 0.89 SIGMAR1 (0.51) SIGMAR1CHRM5CHRM3ALDH1A1CA12
SCHEMBL29950821 0.86 SIGMAR1 (0.60) SIGMAR1CHRM5CHRM3ALDH1A1CA12
SCHEMBL29956969 0.85 SIGMAR1 (0.63) SIGMAR1CHRM5CHRM3ALDH1A1CA12
SCHEMBL2557931 0.83 SIGMAR1 (0.46) SIGMAR1CHRM5CHRM3ALDH1A1CA12
SCHEMBL15332158 0.82 KMT2A (0.47) SIGMAR1CHRM5CHRM3ALDH1A1CA12
SCHEMBL2929446 0.81 SIGMAR1 (0.58) SIGMAR1CHRM5CHRM3ALDH1A1CA12
SCHEMBL13640016 0.79 SIGMAR1 (0.72) SIGMAR1CHRM5CHRM3ALDH1A1CA12
SCHEMBL2561527 0.78 ALDH1A1 (0.61) SIGMAR1CHRM5CHRM3ALDH1A1CA12
SCHEMBL10304524 0.75 SIGMAR1 (0.67) SIGMAR1CHRM5CHRM3ALDH1A1CA12
SCHEMBL2555207 0.74 HTT (0.37) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; 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