SCHEMBL4713308

SCHEMBL4713308

Cc1cccc(C#Cc2ncccn2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.73
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
THPO P40225 1/20 0.59
KMT2A Q03164 1/20 0.59
GRIN2B Q13224 1/20 0.59
GRM1 Q13255 1/20 0.59

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
SCHEMBL4711600 0.77 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23075939 0.75 GRM5 (0.62) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15951590 0.75 GRM5 (0.61) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29355216 0.74 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL103061 0.74 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16115387 0.74 GRM5 (0.60) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16289829 0.74 GRM5 (0.61) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29796588 0.74 GRM5 (0.60) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3274122 0.74 GRM5 (0.60) GRM5NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL29394034 0.73 NPC1 (1.00) 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 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