SCHEMBL4714641

SCHEMBL4714641

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.64
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
KMT2A Q03164 1/20 0.61
GRIN2B Q13224 1/20 0.61
GRM1 Q13255 1/20 0.61

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
SCHEMBL30873473 0.80 GRM5 (0.58) GRM5ALDH1A1
SCHEMBL4710830 0.80 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4713737 0.79 GRM5 (0.71) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1024657 0.78 GRM5 (0.60) GRM5
SCHEMBL4154138 0.78 GRM5 (1.00) GRM5CYP1A2CYP2D6
SCHEMBL4710847 0.78 GRM5 (0.70) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29355216 0.77 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL103061 0.77 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4712241 0.76 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4710415 0.76 GRM5 (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