SCHEMBL8970384

SCHEMBL8970384

COc1cccc2c1CC(CN)CC2

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.60
CHRM1 P11229 3/20 0.60
CHRM3 P20309 3/20 0.60
HTR1A P08908 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
CYP19A1 P11511 2/20 0.51
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51

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
Hydrochloric Acid SCHEMBL9688982 0.98 CHRM2 (0.59) CHRM2CHRM1CHRM3HTR1ASIGMAR1
SCHEMBL9365199 0.89 DRD2 (0.66) CHRM2CHRM1CHRM3SIGMAR1DRD2
Hydrochloric Acid SCHEMBL9688990 0.88 DRD2 (0.64) CHRM2CHRM1CHRM3SIGMAR1DRD2
SCHEMBL8132467 0.84 CHRM2 (0.60) CHRM2CHRM1CHRM3HTR1ASIGMAR1
SCHEMBL25286780 0.82 ADRA1A (0.62) CHRM2CHRM1CHRM3HTR1ADRD2
SCHEMBL30510683 0.82 ADRA1A (0.62) CHRM2CHRM1CHRM3HTR1ADRD2
SCHEMBL8124399 0.82 HTR1A (0.46) CHRM2CHRM1CHRM3HTR1ASIGMAR1
SCHEMBL12671717 0.81 CHRM2 (0.67) CHRM2CHRM1CHRM3HTR1ASIGMAR1
SCHEMBL338362 0.80 DRD2 (0.55) CHRM2CHRM1CHRM3HTR1ASIGMAR1
SCHEMBL19835985 0.80 MTNR1A (0.56) CHRM2CHRM1CHRM3HTR1ASIGMAR1

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 8 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
EP-0436435-B1 Phenylethanolaminomethyltetralins, procedure for their preparation and pharmaceutical compositions containing same SANOFI ELF (FR) 1994-03-23 EP disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0436435-A1 Phenylethanolaminomethyltetralins, procedure for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1991-07-10 EP disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed