SCHEMBL4711258

SCHEMBL4711258

CCc1cccc(C#Cc2cccc(F)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.54
SLC6A2 P23975 1/20 0.45
TRPV3 Q8NET8 1/20 0.44

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
SCHEMBL4710830 0.80 GRM5 (0.67) GRM5
SCHEMBL4712357 0.76 GRM5 (0.62) GRM5SLC6A2
SCHEMBL4713141 0.76 GRM5 (0.54) GRM5SLC6A2
SCHEMBL4711843 0.76 GRM5 (0.54) GRM5SLC6A2
SCHEMBL9302636 0.74 CA12 (0.62) GRM5SLC6A2
SCHEMBL31286312 0.74 CA12 (0.62) GRM5SLC6A2
SCHEMBL23707308 0.73 GRM5 (0.36) GRM5TRPV3
SCHEMBL7354283 0.73 TRPV3 (0.39) GRM5TRPV3
SCHEMBL17710274 0.72 GRM5 (0.35) GRM5TRPV3
SCHEMBL4710584 0.71 GRM5 (0.52) GRM5SLC6A2

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