SCHEMBL8970412

SCHEMBL8970412

COc1cccc2c1CC(CN(C)CCCN(C)S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.48
CHRM1 P11229 3/20 0.48
CHRM3 P20309 3/20 0.48
DRD2 P14416 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
HTR1A P08908 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
SLC6A4 P31645 1/20 0.38

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
SCHEMBL8969014 0.88 CHRM2 (0.43) CHRM2CHRM1CHRM3DRD2HTR1A
SCHEMBL8970432 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM3CA1CA2
SCHEMBL8970496 0.85 CHRM2 (0.48) CHRM2CHRM1CHRM3DRD2CA1
SCHEMBL8970393 0.79 TAS2R14 (0.45) CHRM2CHRM1CHRM3DRD2HTR1A
SCHEMBL8970649 0.73 BACE1 (0.47) CHRM2CHRM1CHRM3DRD2HTR1A
SCHEMBL8970546 0.73 DRD2 (0.43) CHRM2CHRM1CHRM3DRD2HTR1A
SCHEMBL8969041 0.71 CHRM2 (0.51) CHRM2CHRM1CHRM3DRD2HTR1A
SCHEMBL8970736 0.69 NPY5R (0.47) CHRM2CHRM1CHRM3DRD2
SCHEMBL8123128 0.69 CHRM2 (0.58) CHRM2CHRM1CHRM3HTR1ASIGMAR1
SCHEMBL8970423 0.67 HTR1A (0.53) DRD2ACHEHTR1A

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