SCHEMBL29951773

SCHEMBL29951773

CNC(=O)C1CCCCN1CCC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.39
SLC6A1 P30531 2/20 0.39
NR1I2 O75469 1/20 0.38
MMP1 P03956 3/20 0.35
MMP13 P45452 3/20 0.35
ADAM17 P78536 3/20 0.35
MMP3 P08254 2/20 0.35
HSD11B1 P28845 1/20 0.35
PTGER4 P35408 5/20 0.35
PTGER2 P43116 2/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL29953085 0.95 HTT (0.43) KCNK3LMNACYP3A4CYP2D6KCNH2
SCHEMBL2562312 0.80 SLC6A1 (0.38) KCNK3LMNACYP3A4CYP2D6KCNH2
SCHEMBL22808905 0.79 ALDH1A1 (0.46) KCNK3LMNACYP3A4CYP2D6KCNH2
SCHEMBL18878615 0.78 KCNK3 (0.55) KCNK3LMNACYP3A4CYP2D6KCNH2
SCHEMBL5220234 0.78 HTT (0.46) KCNK3LMNACYP3A4CYP2D6KCNH2
SCHEMBL3276717 0.78 HTT (0.59) KCNK3LMNACYP3A4CYP2D6KCNH2
SCHEMBL18801590 0.78 ALDH1A1 (0.45) KCNK3LMNACYP3A4CYP2D6KCNH2
SCHEMBL19478747 0.78 KCNK3 (0.42) KCNK3LMNACYP3A4CYP2D6KCNH2
SCHEMBL5220242 0.78 HTT (0.59) KCNK3LMNACYP3A4CYP2D6KCNH2
SCHEMBL3276714 0.78 HTT (0.46) KCNK3LMNACYP3A4CYP2D6KCNH2

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