SCHEMBL8596333

SCHEMBL8596333

C[C@@H](CN1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.55
GRIN1 Q05586 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
CHRM4 P08173 1/20 0.52
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ABCB1 P08183 1/20 0.49

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
SCHEMBL8595024 1.00 DRD4 (0.55) DRD4GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL8595026 1.00 DRD4 (0.55) DRD4GRIN1GRIN2BGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL8595172 0.99 DRD4 (0.54) DRD4GRIN1GRIN2BGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL8598902 0.99 DRD4 (0.54) DRD4GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL8597349 0.85 POLB (0.55) CHRM4POLBL3MBTL1
SCHEMBL10734821 0.85 GRIN2B (0.64) GRIN1GRIN2BCHRM4POLB
SCHEMBL8594557 0.84 ALDH1A1 (0.57) DRD4GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL10735790 0.81 GRIN2B (0.59) GRIN1GRIN2BCHRM4
SCHEMBL8594621 0.80 ADRA1A (0.78) DRD4GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL8597517 0.80 ADRA1A (0.78) DRD4GRIN1GRIN2BGRIN2DGRIN3B

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-0648744-A1 Phenylalkanolamine derivatives as antagonists of the NMDA receptor F. HOFFMANN-LA ROCHE AG (CH) 1995-04-19 EP claimed
EP-0648744-B1 Phenylalkanolamine derivatives as antagonists of the NMDA receptor HOFFMANN LA ROCHE (CH) 1998-01-21 EP disclosed
EP-0648744-A1 Phenylalkanolamine derivatives as antagonists of the NMDA receptor F. HOFFMANN-LA ROCHE AG (CH) 1995-04-19 EP disclosed