SCHEMBL4711152

SCHEMBL4711152

COc1cc(/C=C/c2cccc(C)n2)ccc1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.84
MEN1 O00255 2/20 0.70
RAB9A P51151 2/20 0.70
KMT2A Q03164 2/20 0.70
NPC1 O15118 1/20 0.70
POLB P06746 1/20 0.70
OPRK1 P41145 1/20 0.70
MMP9 P14780 2/20 0.60
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
TLR9 Q9NR96 1/20 0.58
PTGS2 P35354 2/20 0.58
PRKCE Q02156 2/20 0.58
PRKCQ Q04759 2/20 0.58
PRKCD Q05655 2/20 0.58
CAMK2A Q9UQM7 2/20 0.58
ALOX5 P09917 1/20 0.58
ALOX12 P18054 1/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL4711155 1.00 APP (0.84) APPMEN1RAB9AKMT2ANPC1
SCHEMBL27570859 0.89 APP (0.66) APPMEN1RAB9AKMT2ANPC1
SCHEMBL4710990 0.87 APP (0.62) APPMEN1RAB9AKMT2ANPC1
SCHEMBL4710991 0.87 APP (0.62) APPMEN1RAB9AKMT2ANPC1
SCHEMBL12280972 0.83 MEN1 (1.00) APPMEN1RAB9AKMT2ANPC1
SCHEMBL4710987 0.81 JUN (0.59) APPMEN1RAB9AKMT2ANPC1
SCHEMBL4710988 0.81 JUN (0.59) APPMEN1RAB9AKMT2ANPC1
SCHEMBL8854590 0.80 APP (0.74) APPMEN1RAB9AKMT2ANPC1
SCHEMBL17732299 0.80 TTR (0.85) APPMEN1KMT2APOLBMMP9
SCHEMBL671150 0.80 TTR (0.85) APPMEN1KMT2APOLBMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed
US-6656957-B1 Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. NOVARTIS AG (CH) 2003-12-02 US disclosed