SCHEMBL8010239

SCHEMBL8010239

c1ccc2c(c1)COC21CCN(CCCCCCN2CCC3(CC2)OCc2ccccc23)CC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.68
GRIN2B Q13224 2/20 0.68

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
SCHEMBL8010301 1.00 GRIN1 (0.68) GRIN1GRIN2B
SCHEMBL467160 0.98 GRIN1 (0.70) GRIN1GRIN2B
SCHEMBL8012780 0.95 GRIN1 (0.66) GRIN1GRIN2B
SCHEMBL7430981 0.93 GRIN1 (0.61) GRIN1GRIN2B
SCHEMBL8010724 0.92 SIGMAR1 (0.66) GRIN1GRIN2B
SCHEMBL7433636 0.92 GRIN1 (0.63) GRIN1GRIN2B
SCHEMBL7431429 0.91 HTR1A (0.64)
SCHEMBL6198931 0.91 HTR1A (0.64)
SCHEMBL7431299 0.90 GRIN1 (0.61) GRIN1GRIN2B
SCHEMBL466857 0.89 HTR1A (0.65)

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 7 patents. 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
US-6090808-A PSYCHOLOGICAL DISORDERS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 2000-07-18 US disclosed
EP-0927030-A4 USE OF ARYL N-SUBSTITUTED CARBOXAMIDES TO KILL TUMORS OXIGENE INC (US) 2000-01-26 EP disclosed
EP-0927030-A1 USE OF ARYL N-SUBSTITUTED CARBOXAMIDES TO KILL TUMORS OXIGENE, INC. (US) 1999-07-07 EP disclosed
EP-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP disclosed
WO-1997032576-A1 USE OF ARYL N-SUBSTITUTED CARBOXAMIDES TO KILL TUMORS OXIGENE, INC. (US) 1997-09-12 WO disclosed
US-5658921-A POTENT SIGMA RECEPTOR LIGANDS; WATER SOLUBILITY; SYMMETRY H. LUNDBECK A/S (DK) 1997-08-19 US disclosed