SCHEMBL4711543

SCHEMBL4711543

Cc1cccc(C#Cc2cccc(C#N)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
PKM P14618 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
CYP2C19 P33261 1/20 0.67
THPO P40225 1/20 0.67
KMT2A Q03164 1/20 0.67
GRIN2B Q13224 1/20 0.67
GRM1 Q13255 1/20 0.67

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
SCHEMBL15291275 0.87 GRM5 (0.58) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31060642 0.86 GRM5 (0.61) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15694400 0.84 GRM5 (0.55) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30879628 0.84 GRM5 (0.58) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2758339 0.84 GRM5 (0.58) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4711547 0.83 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL30786903 0.83 GRM5 (0.57) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4713737 0.83 GRM5 (0.71) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4711651 0.83 GRM5 (0.57) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2758325 0.82 GRM5 (0.53) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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 7 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
CN-1203060-C Pyridine derivatives, compositions and uses thereof NOVARTIS AG (CH) 2005-05-25 CN 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
CN-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 CN disclosed