SCHEMBL4956677

SCHEMBL4956677

Nc1nc2ccc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 10/20 0.68
GRIN2B Q13224 10/20 0.68
GRIN2D O15399 7/20 0.68
GRIN3B O60391 7/20 0.68
GRIN2A Q12879 7/20 0.68
GRIN2C Q14957 7/20 0.68
GRIN3A Q8TCU5 7/20 0.68
CHRNA7 P36544 1/20 0.53
FAAH O00519 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL4578256 0.95 GRIN1 (0.62) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4418701 0.89 GRIN1 (0.68) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4551013 0.81 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577504 0.81 GRIN1 (0.65) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4576934 0.81 GRIN2B (0.68) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL12466320 0.80 MEN1 (0.62) GRIN1GRIN2BFAAH
SCHEMBL4414796 0.80 GRIN1 (0.69) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577467 0.80 GRIN2D (0.69) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4579394 0.79 GRIN1 (0.65) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577185 0.79 GRIN1 (0.68) 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 disclosed