SCHEMBL3689756

SCHEMBL3689756

CCCCOC(=O)N1CCC(CNS(C)(=O)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.42
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
GPR119 Q8TDV5 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.39
GRIN2B Q13224 2/20 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
SCHEMBL6586204 0.83 LMNA (0.54) SMN1; SMN2LMNAPOLBMMP13MMP2
SCHEMBL15048844 0.81 LMNA (0.51) SMN1; SMN2LMNAPOLBALDH1A1MMP13
SCHEMBL724672 0.80 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPOLBMMP13MMP2
SCHEMBL31540784 0.80 LMNA (0.50) SMN1; SMN2LMNAPOLBMMP13MMP2
SCHEMBL725320 0.79 LMNA (0.58) SMN1; SMN2LMNAPOLBALDH1A1MMP13
SCHEMBL11974037 0.79 POLB (0.58) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL16256877 0.79 LMNA (0.58) SMN1; SMN2LMNAPOLBALDH1A1MMP13
SCHEMBL21496883 0.78 LMNA (0.40) SMN1; SMN2LMNAPOLBALDH1A1MMP13
SCHEMBL7985579 0.77 LMNA (0.56) SMN1; SMN2LMNAPOLBALDH1A1MMP13
SCHEMBL30510136 0.77 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBALDH1A1MMP13

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
EP-2201002-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-30 EP disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 WO disclosed