SCHEMBL4711575

SCHEMBL4711575

CN(C)CCCOc1cccnc1C#Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.48
HTR1B P28222 2/20 0.47
LSS P48449 1/20 0.46
KDM4E B2RXH2 2/20 0.42
HTR7 P34969 1/20 0.41

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
SCHEMBL4711565 0.82 HTR1B (0.45) HRH1HTR1BLSSKDM4E
SCHEMBL1906166 0.76 EGFR (0.52)
SCHEMBL4715746 0.74 ALDH1A1 (0.44) HRH1HTR1BKDM4E
SCHEMBL4717150 0.73 ALDH1A1 (0.41) HRH1HTR1BKDM4E
SCHEMBL22552118 0.73 HTR7 (0.49) HTR1BKDM4EHTR7
SCHEMBL15883729 0.71 TOP2A (0.49) HTR1BLSSKDM4E
SCHEMBL4714333 0.70 KDM4E (0.45) KDM4E
SCHEMBL4710329 0.70 CYP1A2 (0.46) HTR1B
SCHEMBL1100857 0.70 MAPT (0.62) HTR1BKDM4E
SCHEMBL1477065 0.70 JAK2 (0.62) HRH1HTR1BLSSKDM4EHTR7

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