SCHEMBL9037233

SCHEMBL9037233

CCCCc1nnc2cnc3cc(Cl)c(Cl)cc3n12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
MAPT P10636 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PDE2A O00408 2/20 0.35
TLR7 Q9NYK1 2/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ADORA3 P0DMS8 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
SCHEMBL9036696 0.92 GRIN2D (0.46) AGTR1AGTR2MAPTGRIN2DGRIN3B
SCHEMBL9036947 0.86 POLB (0.46) MAPTGRIN2DGRIN3BGRIA1GRIA2
SCHEMBL18855267 0.70 AURKA (0.48) MAPTPDE2ATLR7
SCHEMBL9040622 0.69 ALDH1A1 (0.36) PDE2ALMNA
SCHEMBL9036533 0.67 ABL1 (0.44) MAPTPDE2APOLBKDM4EADORA3
SCHEMBL9038606 0.65 GRIA1 (0.86) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL11773656 0.63 SMN1; SMN2 (0.55) TLR7POLBLMNA
SCHEMBL4678783 0.62 LMNA (0.62) MAPTKCNH2KDM4ELMNA
SCHEMBL11874188 0.61 MAPT (0.32) MAPTPOLBKDM4E
SCHEMBL10845609 0.60 GRIN2D (0.42) GRIN2DGRIN3BGRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed