SCHEMBL5310795

SCHEMBL5310795

O=CCc1cccc(Oc2ccccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.51
TLR2 O60603 1/20 0.51
MGLL Q99685 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
GRM5 P41594 1/20 0.43
LOXL2 Q9Y4K0 3/20 0.41
MAP4K4 O95819 1/20 0.41
BRS3 P32247 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LOX P28300 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
PTGS2 P35354 2/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL5024643 0.81 TLR4 (0.47) TLR4TLR2MGLLFFAR4GRM5
SCHEMBL27233574 0.81 TLR4 (0.47) TLR4TLR2MGLLFFAR4GRM5
SCHEMBL3294752 0.81 LOXL2 (0.62) TLR4TLR2MGLLFFAR4GRM5
SCHEMBL1747080 0.81 MGLL (0.47) TLR4TLR2MGLLFFAR4GRM5
SCHEMBL12129555 0.80 TLR4 (0.56) TLR4TLR2FFAR4GRM5LOXL2
SCHEMBL29612417 0.80 TLR4 (0.56) TLR4TLR2FFAR4GRM5LOXL2
SCHEMBL8783822 0.79 FFAR1 (0.50) TLR4TLR2MGLLFFAR4LOXL2
SCHEMBL6202444 0.79 TAAR1 (0.53) TLR4TLR2MGLLFFAR4GRM5
SCHEMBL27234543 0.79 MGLL (0.46) TLR4TLR2MGLLFFAR4GRM5
SCHEMBL5311815 0.79 KDM4E (0.51) FFAR4ALDH1A1MEN1KMT2ALTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154954-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford-Burnham Medical Research Institute (US) 2017-04-19 EP disclosed
WO-2015191630-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-17 WO disclosed
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed