SCHEMBL29951726

SCHEMBL29951726

N#CCNC(=O)CN1CCC(C=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CTSK P43235 3/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
DRD4 P21917 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2557343 0.85 MAPT (0.47) HTTTLR9TLR8TLR7ALDH1A1
SCHEMBL2560665 0.85 HTT (0.39) HTTALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL29954597 0.83 HPGD (0.41) ALDH1A1CTSKCTSBCTSSKDM4E
SCHEMBL27731632 0.83 HTT (0.41) HTTALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL2556051 0.80 ALDH1A1 (0.46) HTTTLR9TLR8TLR7ALDH1A1
SCHEMBL2555207 0.79 HTT (0.37) HTTALDH1A1KDM4ESMN1; SMN2DRD4
SCHEMBL15331209 0.79 ALDH1A1 (0.49) HTTALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL2561158 0.79 TLR9 (0.39) HTTTLR9TLR8TLR7ALDH1A1
SCHEMBL29953615 0.78 SMN1; SMN2 (0.41) HTTTLR9TLR8TLR7ALDH1A1
SCHEMBL29955822 0.78 SIGMAR1 (0.44) HTTALDH1A1KDM4ESMN1; SMN2GAA

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