SCHEMBL6780746

SCHEMBL6780746

COc1ccc(-c2[c]ccc(N(C)C)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
APP P05067 4/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
SLC2A1 P11166 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
CRHR1 P34998 2/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CALM1 P0DP23 1/20 0.33
GAA P10253 2/20 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
SCHEMBL9507485 0.88 SNCA (0.37) SNCATLR9TLR7APPMAOB
SCHEMBL9509488 0.84 MAPT (0.39) APPTSHRCRHR1MAPTALDH1A1
SCHEMBL9509841 0.81 TLR9 (0.42) SNCATLR9TLR7APPMAOB
SCHEMBL10887641 0.78 APP (0.46) SNCATLR9TLR7APPMAOB
SCHEMBL8067213 0.77 MAOB (0.40) SNCATLR9TLR7APPMAOB
SCHEMBL10888098 0.76 CYP1A2 (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL9509806 0.75 SNCA (0.36) SNCATLR9TLR7APPMAOB
SCHEMBL9508228 0.75 SNCA (0.36) SNCATLR9TLR7APPMAOB
SCHEMBL6616034 0.75 GAA (0.41) SNCAAPPMEN1KMT2ACYP1A2
SCHEMBL8529081 0.75 ACHE (0.40) SNCAAPPMAOBMEN1KMT2A

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
US-6831081-B2 Herpes virus including simplex types 1 and 2, varicella zoster, human cytomegalovirus, Epstein-Barr and human 6, 7 and 8 PHARMACIA & UPJOHN 2004-12-14 US disclosed