SCHEMBL7598758

SCHEMBL7598758

O=c1[nH]c2ccc([S+]([O-])CCN3CCC(O)(Cc4ccc(F)cc4)CC3)cc2o1.O=c1[nH]c2ccc([S+]([O-])CCN3CCC(O)(Cc4ccccc4)CC3)cc2o1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.44
▸ GRIN1 Q05586 5/20 0.43
▸ GRIN2D O15399 3/20 0.43
▸ GRIN3B O60391 3/20 0.43
▸ GRIN2A Q12879 3/20 0.43
▸ GRIN2C Q14957 3/20 0.43
▸ GRIN3A Q8TCU5 3/20 0.43
▸ ENPP2 Q13822 2/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATXN2 Q99700 1/20 0.38
▸ SSTR5 P35346 1/20 0.37

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
SCHEMBL6160888 0.97 GRIN2B (0.45) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6162230 0.95 GRIN2B (0.48) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
Besonprodil SCHEMBL29388542 0.79 GRIN1 (0.66) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
Besonprodil SCHEMBL2257896 0.79 GRIN1 (0.66) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6163800 0.77 GRIN1 (0.62) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL15135313 0.75 ENPP2 (0.46) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6162845 0.74 HTR2A (0.45) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL3446618 0.74 GRIN2D (0.54) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6164799 0.72 GRIN2B (0.48) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7190277 0.72 GRIN1 (0.47) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254661-A1 Method for preventing dyskinesias with selective NMDA-Antagonists WARNER-LAMBERT COMPANY (US) 2002-11-06 — — EP disclosed
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