SCHEMBL9036696

SCHEMBL9036696

CCCc1nnc2cnc3cc(Cl)c(Cl)cc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
MAPT P10636 1/20 0.41
TLR8 Q9NR97 1/20 0.36
POLB P06746 1/20 0.35
PDE2A O00408 2/20 0.32
GLP1R P43220 1/20 0.32
KCNH2 Q12809 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9037233 0.92 AGTR1 (0.40) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL9036947 0.88 POLB (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL9037537 0.77 BRD4 (0.37) KDM4EPIK3CBPRKDCATMATR
SCHEMBL9040622 0.71 ALDH1A1 (0.36) PDE2ALMNAPIK3CBPRKDCATM
SCHEMBL9036533 0.69 ABL1 (0.44) MAPTPOLBPDE2AKDM4ELMNA
SCHEMBL11874188 0.66 MAPT (0.32) MAPTPOLBKDM4E
SCHEMBL9037563 0.63 GRIA1 (1.00) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL11874915 0.63 CUL4A (0.36) MAPTPOLBKDM4E
SCHEMBL10845609 0.62 GRIN2D (0.42) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL31588826 0.62 CYP2D6 (0.45) GRIA1GRIA2GRIA3GRIA4MAPT

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