SCHEMBL16005697

SCHEMBL16005697

CN1CCN(S(=O)(=O)CCCN2[C@@H]3C[CH]C[C@H]2CC3)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
HTR4 Q13639 1/20 0.35
ALOX15 P16050 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HTT P42858 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4961623 0.90 HTR4 (0.36) L3MBTL1KDM4EALDH1A1HTR4ALOX15
SCHEMBL16005740 0.85 HTR4 (0.41) L3MBTL1KDM4EALDH1A1HTR4ALOX15
SCHEMBL4199349 0.78 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL4206306 0.70 HTR4 (0.33) KDM4EALDH1A1HTR4NPSR1
SCHEMBL2446798 0.70 L3MBTL1 (0.42) L3MBTL1KDM4EHTR4MEN1KMT2A
SCHEMBL4195676 0.69 HTR4 (0.38) L3MBTL1KDM4EALDH1A1HTR4MEN1
SCHEMBL2387235 0.69 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1HTR4MEN1
SCHEMBL31061327 0.69 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL17033124 0.69 L3MBTL1 (0.41) L3MBTL1KDM4EHTR4MEN1KMT2A
SCHEMBL1667133 0.69 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1MEN1KMT2A

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
EP-1871772-B1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2014-09-10 EP claimed