SCHEMBL8007637

SCHEMBL8007637

C=C1Nc2ccc(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2N1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.58
GRIN2B Q13224 1/20 0.58
RAB9A P51151 2/20 0.51
MAPT P10636 5/20 0.49
ENPP2 Q13822 5/20 0.48
HTT P42858 3/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46

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
SCHEMBL12576523 0.84 GRIN1 (0.57) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL8013158 0.84 GRIN1 (0.55) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL2022580 0.82 GRIN1 (0.59) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL8008982 0.81 GRIN1 (0.58) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL2018529 0.81 GRIN1 (0.58) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL8006950 0.80 GRIN1 (0.70) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL12576407 0.79 GRIN1 (0.72) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL7997522 0.79 GRIN1 (0.60) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL12575492 0.77 GRIN1 (0.77) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL2022360 0.76 GRIN1 (0.56) GRIN1GRIN2BRAB9AMAPTENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 WO disclosed