SCHEMBL4713149

SCHEMBL4713149

Fc1cccc(C#Cc2ccc3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
GRM5 P41594 13/20 0.52
KCNH2 Q12809 2/20 0.51
SLC6A2 P23975 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL12884290 0.82 TTR (0.62) TTRGRM5KCNH2CA12CA9
SCHEMBL5778843 0.81 GRM5 (0.62) TTRGRM5KCNH2CA12CA9
SCHEMBL2808776 0.81 TTR (0.62) TTRGRM5KCNH2CA12CA1
SCHEMBL2808633 0.81 TTR (0.55) TTRGRM5KCNH2
SCHEMBL2807844 0.81 TTR (0.55) TTRGRM5KCNH2
SCHEMBL12884286 0.79 GRM5 (0.65) TTRGRM5KCNH2CA12CA9
SCHEMBL15877006 0.77 GRM5 (0.62) TTRGRM5KCNH2CA12CA9
SCHEMBL20593924 0.76 GRM5 (0.56) TTRGRM5KCNH2CA12CA9
SCHEMBL30108246 0.76 GRM5 (0.56) TTRGRM5KCNH2CA12CA9
SCHEMBL9302636 0.75 CA12 (0.62) GRM5SLC6A2CA12CA1CA2

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