SCHEMBL8554333

SCHEMBL8554333

c1ccc2c(c1)COC1(CCN(CCCCN3CCC4(CC3)Cc3ccccc3CO4)CC1)C2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
OPRM1 P35372 1/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL7431665 0.91 SIGMAR1 (0.54) SIGMAR1GRIN2BOPRM1DRD2HTR2A
SCHEMBL8554337 0.85 DRD2 (0.38) SIGMAR1GRIN1GRIN2BDRD2HTR2A
SCHEMBL7952645 0.82 SIGMAR1 (0.59) SIGMAR1OPRM1DRD2HTR2A
SCHEMBL7437439 0.82 SIGMAR1 (0.42) SIGMAR1
SCHEMBL7876353 0.77 HTR1A (0.44) DRD2
SCHEMBL7435075 0.76 TMEM97 (0.75) SIGMAR1
SCHEMBL467160 0.75 GRIN1 (0.70) SIGMAR1GRIN1GRIN2B
SCHEMBL19852259 0.74 OPRM1 (0.39) SIGMAR1OPRM1
SCHEMBL8010301 0.74 GRIN1 (0.68) GRIN1GRIN2B
SCHEMBL8010239 0.74 GRIN1 (0.68) GRIN1GRIN2B

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-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP claimed