SCHEMBL8970407

SCHEMBL8970407

COc1cccc2c1CC(CNCCCNCc1ccccc1)CC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
CXCR4 P61073 1/20 0.46

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
SCHEMBL8970411 0.92 SIGMAR1 (0.58) SIGMAR1HTR1ADRD2MTNR1AMTNR1B
SCHEMBL3732776 0.90 SIGMAR1 (0.54) SIGMAR1HTR1ADRD2MTNR1AMTNR1B
SCHEMBL8970307 0.83 MTNR1A (0.62) SIGMAR1HTR1ADRD2MTNR1AMTNR1B
SCHEMBL8970511 0.81 SIGMAR1 (0.50) SIGMAR1HTR1ADRD2MTNR1AMTNR1B
SCHEMBL8969631 0.80 MTNR1A (0.51) SIGMAR1HTR1ADRD2HTR1DHTR1B
SCHEMBL8972304 0.79 MTNR1A (0.49) DRD2MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL8970480 0.79 MTNR1A (0.53) SIGMAR1HTR1ADRD2MTNR1AMTNR1B
SCHEMBL8970649 0.77 BACE1 (0.47) SIGMAR1HTR1ADRD2MTNR1AMTNR1B
SCHEMBL8969041 0.77 CHRM2 (0.51) HTR1ADRD2MTNR1AMTNR1BCHRM2
SCHEMBL9382674 0.75 CHRM2 (0.45) SIGMAR1HTR1ADRD2HTR1BMTNR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed