SCHEMBL4972048

SCHEMBL4972048

CC(=O)N(C1CCCNC1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
APLNR P35414 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A2 P23975 9/20 0.33
SLC6A4 P31645 9/20 0.33
KCNH2 Q12809 3/20 0.32
RPLP1 P05386 1/20 0.32

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
SCHEMBL1967495 0.75 APLNR (0.41) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1005036 0.75 SLC6A1 (0.42) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL7665473 0.75 SLC6A1 (0.42) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL12258976 0.75 SLC6A2 (0.43) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL15342478 0.75 SLC6A2 (0.43) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL31607259 0.74 SLC6A2 (0.43) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL16104131 0.71 SLC6A2 (0.46) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1870886 0.69 SLC6A4 (0.39) CYP2D6SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1870887 0.69 SLC6A4 (0.39) CYP2D6SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL8223060 0.68 CYP2D6 (0.33) SLC6A1SLC6A11TSHRLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871772-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2008-01-02 EP disclosed
WO-2006094063-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-09-08 WO disclosed