SCHEMBL4955449

SCHEMBL4955449

Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cccc4c3NC(=O)CC4)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 11/20 0.57
GRIN2B Q13224 11/20 0.57
GRIN2D O15399 9/20 0.57
GRIN3B O60391 9/20 0.57
GRIN2A Q12879 9/20 0.57
GRIN2C Q14957 9/20 0.57
GRIN3A Q8TCU5 9/20 0.57
CHRNA7 P36544 1/20 0.50
FAAH O00519 2/20 0.45
CCR5 P51681 1/20 0.41
OGT O15294 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4955438 0.80 GRIN1 (0.84) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4578168 0.73 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577738 0.72 GRIN2D (0.80) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4576733 0.71 GRIN2D (0.64) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4551727 0.71 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4576699 0.71 GRIN1 (0.66) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL27590230 0.70 FAAH (0.64) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4576966 0.70 FAAH (0.61) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577421 0.69 GRIN1 (0.82) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577722 0.69 GRIN2D (0.70) 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