SCHEMBL4963464

SCHEMBL4963464

Cc1ccc(S(=O)(=O)C2CCN(C(=O)C(=O)Nc3ccc4[nH]c(=O)sc4c3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 10/20 0.71
GRIN2B Q13224 10/20 0.71
GRIN2D O15399 9/20 0.71
GRIN3B O60391 9/20 0.71
GRIN2A Q12879 9/20 0.71
GRIN2C Q14957 9/20 0.71
GRIN3A Q8TCU5 9/20 0.71
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
CHRNA7 P36544 3/20 0.47
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4409737 0.83 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4421110 0.82 GRIN1 (0.83) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL1384919 0.77 GRIN1 (0.65) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577390 0.74 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4576737 0.74 GRIN1 (0.82) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4412053 0.73 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL12508969 0.71 GRIN1 (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL12508754 0.71 GRIN1 (0.68) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL1381735 0.69 GRIN1 (0.63) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4552245 0.68 GRIN2D (0.83) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP claimed