SCHEMBL2369914

SCHEMBL2369914

CC(C#N)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
FDPS P14324 1/20 0.46
PTPRA P18433 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
HRH1 P35367 1/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
LIN28A Q9H9Z2 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
SCHEMBL2352782 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL104860 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31450615 0.78 PTPRA (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21457778 0.78 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL198454 0.78 PTPRA (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL28948556 0.76 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Ammonia Solution, Strong SCHEMBL5620498 0.76 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3470626 0.75 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13516656 0.75 PTPRA (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24454696 0.75 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364301-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial Limited (US) 2011-09-14 EP disclosed
WO-2010056999-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2010-05-20 WO disclosed