SCHEMBL13629959

SCHEMBL13629959

COC(=O)CN1CCC(C(C)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.41
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
TERT O14746 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27365079 0.85 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNAPOLBTP53
SCHEMBL5482515 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1WNT1GSK3BDYRK1A
SCHEMBL13136035 0.82 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TERTTDP1GAA
SCHEMBL23291308 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1WNT1GSK3BDYRK1A
SCHEMBL1965586 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1WNT1GSK3BDYRK1A
SCHEMBL2663389 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1POLBTP53MEN1
SCHEMBL26891587 0.81 WNT1 (0.42) SMN1; SMN2ALDH1A1WNT1GSK3BDYRK1A
SCHEMBL28164677 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TERTLMNATSHR
SCHEMBL13629917 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TERTLMNATSHR
SCHEMBL27272041 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAPOLBTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed