SCHEMBL4710380

SCHEMBL4710380

O=C(O)c1ccc(C#Cc2cccc(F)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.64
CYP26A1 O43174 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL7527125 0.84 GRM5 (0.77) GRM5CYP26A1CYP3A4
SCHEMBL4710054 0.81 GRM5 (0.56) GRM5
SCHEMBL3640785 0.81 CA12 (0.55) GRM5CYP26A1CYP3A4
SCHEMBL14061545 0.80 GRM5 (0.57) GRM5
SCHEMBL15913469 0.80 GRM5 (0.55) GRM5
SCHEMBL14061548 0.80 GRM5 (0.55) GRM5
SCHEMBL8983698 0.80 GRM5 (0.52) GRM5CYP26A1CYP3A4
SCHEMBL19411346 0.79 GRM5 (1.00) GRM5
Hydrochloric Acid SCHEMBL23478508 0.78 GRM5 (0.98) GRM5
SCHEMBL4710109 0.77 GRM5 (0.55) GRM5

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-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP 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