SCHEMBL8010281

SCHEMBL8010281

c1ccc2c(c1)CCC1(CCN(CCCCN3CCC4(CCc5ccccc5O4)CC3)CC1)O2

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.74
HTR2A P28223 6/20 0.74
SIGMAR1 Q99720 6/20 0.69
ADRA1D P25100 1/20 0.64
ADRA1A P35348 1/20 0.64
ADRA1B P35368 1/20 0.64
HTR2C P28335 5/20 0.62
KCNH2 Q12809 1/20 0.62
TRPM8 Q7Z2W7 2/20 0.51
EPHX2 P34913 2/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL8576957 0.91 DRD2 (0.67) DRD2HTR2ASIGMAR1ADRA1DADRA1A
SCHEMBL7439064 0.91 DRD2 (0.83) DRD2HTR2ASIGMAR1ADRA1DADRA1A
SCHEMBL19838801 0.88 HTR2A (0.71) DRD2HTR2ASIGMAR1ADRA1DADRA1A
SCHEMBL19838782 0.88 HTR2A (0.71) DRD2HTR2ASIGMAR1ADRA1DADRA1A
SCHEMBL19852225 0.85 HTR2A (1.00) DRD2HTR2ASIGMAR1ADRA1DADRA1A
SCHEMBL5317315 0.83 HTR2A (0.64) DRD2HTR2ASIGMAR1ADRA1DADRA1A
SCHEMBL7326095 0.82 SIGMAR1 (1.00) DRD2HTR2ASIGMAR1ADRA1DADRA1A
SCHEMBL19852123 0.81 SIGMAR1 (0.64) DRD2HTR2ASIGMAR1ADRA1DADRA1A
SCHEMBL19852361 0.79 DRD2 (0.59) DRD2HTR2ASIGMAR1ADRA1DADRA1A
SCHEMBL29964326 0.79 SIGMAR1 (0.61) DRD2HTR2ASIGMAR1ADRA1DADRA1A

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 5 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
US-6054580-A STERICALLY HINDERED CROWN COMPOUND LIGAND FOR COMPLEXING WITH TRANSITION METAL AS OXIDATION CATALYST RESISTANT TO OXIDIZER DURING USE CARNEGIE MELLON UNIVERSITY (US) 2000-04-25 US disclosed
EP-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP disclosed
US-5658921-A POTENT SIGMA RECEPTOR LIGANDS; WATER SOLUBILITY; SYMMETRY H. LUNDBECK A/S (DK) 1997-08-19 US disclosed