SCHEMBL8544748

SCHEMBL8544748

O=C1NCc2cc(C(O)CCN3CCC(Cc4ccccc4)CC3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.58
GRIN1 Q05586 3/20 0.58
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 1/20 0.43

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
SCHEMBL8544786 0.91 GRIN2B (0.59) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL8542863 0.90 GRIN2B (0.47) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL8549047 0.86 GRIN1 (0.63) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL8549343 0.85 GRIN2B (0.59) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL8547693 0.84 GRIN2B (0.47) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL8544371 0.84 GRIN2B (0.47) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL8548698 0.84 GRIN2B (0.47) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL8544337 0.84 GRIN2B (0.57) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL8546974 0.83 GRIN2B (0.40) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL8544989 0.81 GRIN2B (0.59) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709384-B1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GMBH (DE) 1998-12-23 EP disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed