SCHEMBL3661415

SCHEMBL3661415

NC(CCc1nn[nH]n1)C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.46
GRIN2D O15399 3/20 0.43
GRIN3B O60391 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
GRIN2B Q13224 3/20 0.43
GRIN2C Q14957 3/20 0.43
GRIN3A Q8TCU5 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PLA2G2C Q5R387 2/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
RBP4 P02753 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
F2R P25116 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL3634596 1.00 NAALAD2 (0.46) NAALAD2GRIN2DGRIN3BGRIN1GRIN2A
Trifluoroacetic Acid SCHEMBL952655 0.80 DPP4 (0.44) NAALAD2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24251553 0.78 NAALAD2 (0.60) NAALAD2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31696740 0.78 NAALAD2 (0.60) NAALAD2GRIN2DGRIN3BGRIN1GRIN2A
Trifluoroacetic Acid SCHEMBL953473 0.77 P2RY12 (0.42) NAALAD2LMNAPLA2G2C
SCHEMBL21063724 0.71 GRIN2D (0.49) NAALAD2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1891365 0.66 GRIA2 (0.50) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL1891367 0.66 GRIA2 (0.50) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL5325383 0.63 NAALAD2 (0.49) NAALAD2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2433629 0.63 NAALAD2 (0.56) NAALAD2GRIN2DGRIN3BGRIN1GRIN2A

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-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed