SCHEMBL4741748

SCHEMBL4741748

CN1CC=C(c2nn([S+]([O-])c3ccc4c(c3)OCCN4C)c3ccccc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTR6 P50406 5/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTR1A P08908 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A4 P31645 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
SCN9A Q15858 2/20 0.31
SCN5A Q14524 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL3343929 0.79 GBA1 (0.42) HTR6PTGES2LMNASCN9ASCN5A
SCHEMBL4687638 0.76 GBA1 (0.36) CYP11B1CYP11B2PTGES2ALOX15TRPM5
SCHEMBL4744859 0.66 KDR (0.35) CYP11B1CYP11B2HTR6PTGES2KDM4E
SCHEMBL3342990 0.66 KMT2A (0.45) POLB
SCHEMBL3335906 0.63 HTR6 (0.50) CYP11B1CYP11B2HTR6PTGES2HTR1A
SCHEMBL3366957 0.63 HTR6 (0.50) HTR6PTGES2HTR1ASCN9ASCN5A
SCHEMBL3339338 0.62 PKM (0.49) HTR6POLB
SCHEMBL3338517 0.62 HTR6 (0.51) HTR6PTGES2SCN9ASCN5A
SCHEMBL3338773 0.61 HTR6 (0.52) HTR6PTGES2SCN9ASCN5A
SCHEMBL3336900 0.61 HTR6 (0.60) HTR6SLC6A4SCN9ASCN5A

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-1984351-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
WO-2007098418-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2007-08-30 WO disclosed