SCHEMBL8144201

SCHEMBL8144201

CCCNc1cc(C(F)(F)F)c(-n2ccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
GRIK4 Q16099 1/20 0.41
GRIK5 Q16478 1/20 0.41
MAPT P10636 2/20 0.39
HCAR3 P49019 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8201947 0.82 ALDH1A1 (0.45) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7351746 0.81 SERPINE1 (0.55) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8190016 0.77 MAPT (0.41) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8129450 0.77 GRIA1 (0.47) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8139111 0.77 MAPT (0.47) MAPTHCAR3MEN1ALDH1A1CYP1A2
SCHEMBL8203096 0.71 AKR1B1 (0.39) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3495950 0.70 SERPINE1 (0.49) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7136419 0.70 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3496197 0.70 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL1926341 0.69 ALDH1A1 (0.55) GRIK1GRIA1GRIA2GRIA3GRIA4

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-0556393-B1 FUSED PYRAZINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 2000-07-26 EP disclosed
US-5283244-A Anticonvulsants, nervous system disorders YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
EP-0556393-A1 FUSED PYRAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-25 EP disclosed