SCHEMBL29953085

SCHEMBL29953085

CNC(=O)C1CCCN1CCC=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
NR1I2 O75469 1/20 0.41
KCNK3 O14649 1/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
BCHE P06276 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LTA4H P09960 2/20 0.35
SLC6A1 P30531 1/20 0.34
MAPT P10636 1/20 0.34
F2 P00734 1/20 0.33
RAB9A P51151 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
SCHEMBL29951773 0.95 KCNK3 (0.44) HTTNR1I2KCNK3LMNAHSD11B1
SCHEMBL5220234 0.82 HTT (0.46) HTTNR1I2KCNK3LMNAHSD11B1
SCHEMBL3276717 0.82 HTT (0.59) HTTNR1I2KCNK3LMNAHSD11B1
SCHEMBL18878615 0.82 KCNK3 (0.55) HTTNR1I2KCNK3LMNAHSD11B1
SCHEMBL3276714 0.82 HTT (0.46) HTTNR1I2KCNK3LMNAHSD11B1
SCHEMBL5220242 0.82 HTT (0.59) HTTNR1I2KCNK3LMNAHSD11B1
SCHEMBL31153756 0.81 HTT (0.45) HTTNR1I2KCNK3LMNAHSD11B1
SCHEMBL262183 0.80 SLC6A1 (0.45) LMNASLC6A1RAB9A
SCHEMBL16511108 0.79 NR1I2 (0.61) HTTNR1I2KCNK3LMNAHSD11B1
SCHEMBL2563296 0.79 POLB (0.38) HTTNR1I2LMNAHSD11B1SMN1; 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 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