SCHEMBL7436253

SCHEMBL7436253

CCCN1CCC2(CC1)OCc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.60
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57

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
SCHEMBL7431299 0.92 GRIN1 (0.61) SIGMAR1GRIN1GRIN2B
SCHEMBL8010724 0.91 SIGMAR1 (0.66) SIGMAR1GRIN1GRIN2B
SCHEMBL7433636 0.90 GRIN1 (0.63) GRIN1GRIN2B
SCHEMBL7430981 0.89 GRIN1 (0.61) SIGMAR1GRIN1GRIN2B
SCHEMBL8012780 0.88 GRIN1 (0.66) SIGMAR1GRIN1GRIN2B
SCHEMBL467160 0.88 GRIN1 (0.70) SIGMAR1GRIN1GRIN2B
SCHEMBL8014953 0.88 SIGMAR1 (0.63) SIGMAR1
SCHEMBL8010301 0.87 GRIN1 (0.68) GRIN1GRIN2B
SCHEMBL8010239 0.87 GRIN1 (0.68) GRIN1GRIN2B
SCHEMBL8017269 0.86 HRH3 (0.65) SIGMAR1GRIN1GRIN2B

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
WO-2013029057-A2 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2013-02-28 WO disclosed
US-6207677-B1 ADMINISERING SIGMA RECEPTOR BINDING PIPERIDINE DERIVATIVE FOR TREATING ANXIETY, EPILEPSY, CONVULSION, MOVEMENT DISORDER, AMNESIA H. LUNDBECK A/S (DK) 2001-03-27 US disclosed
US-6031099-A Piperidine derivates having anxiolytic effect H. LUNDBECK A/S (DK) 2000-02-29 US disclosed
EP-0859004-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-08-19 EP disclosed
EP-0853085-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-07-15 EP disclosed
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed