SCHEMBL4955438

SCHEMBL4955438

Cc1ccc(CC2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 12/20 0.84
GRIN2B Q13224 12/20 0.84
GRIN2D O15399 10/20 0.84
GRIN3B O60391 10/20 0.84
GRIN2A Q12879 10/20 0.84
GRIN2C Q14957 10/20 0.84
GRIN3A Q8TCU5 10/20 0.84
CHRNA7 P36544 2/20 0.61
OGT O15294 1/20 0.49
FAAH O00519 1/20 0.48
LMNA P02545 1/20 0.47
CRBN Q96SW2 1/20 0.46
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4578168 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4551727 0.84 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL28766004 0.83 GRIN1 (0.83) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4551857 0.82 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577730 0.82 GRIN1 (0.83) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4552255 0.82 GRIN1 (0.82) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577945 0.82 GRIN1 (0.82) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577642 0.81 GRIN1 (0.70) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4955449 0.80 GRIN1 (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577421 0.79 GRIN1 (0.82) 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