SCHEMBL4711495

SCHEMBL4711495

CC(=O)Oc1ccc(C)nc1C#Cc1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.46
LMNA P02545 1/20 0.43
FFAR1 O14842 3/20 0.43
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4710655 0.84 GRM5 (0.52) GRM5
SCHEMBL4710329 0.73 CYP1A2 (0.46) GRM5FFAR1
SCHEMBL4711553 0.72 GRM5 (0.41) GRM5
SCHEMBL16918313 0.71 LMNA (0.39) GRM5LMNAFFAR1NPC1ALDH1A1
SCHEMBL4713235 0.70 GRM5 (0.68) GRM5
SCHEMBL30469478 0.68 GRM5 (0.69) GRM5FFAR1ALDH1A1SMN1; SMN2
SCHEMBL30469481 0.68 GRM5 (0.69) GRM5FFAR1ALDH1A1SMN1; SMN2
SCHEMBL4562089 0.68 GRM5 (0.69) GRM5FFAR1ALDH1A1SMN1; SMN2
SCHEMBL16742902 0.67 MEN1 (0.54) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4713737 0.67 GRM5 (0.71) GRM5LMNANPC1ALDH1A1RAB9A

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