SCHEMBL9119367

SCHEMBL9119367

COc1cccc2c1CC[C@H]1NCC[C@@H]21

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.84
ADRA1A P35348 3/20 0.55
DRD2 P14416 3/20 0.52
HTR1A P08908 10/20 0.51
ADRA2A P08913 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
SCHEMBL8175020 1.00 HSD11B1 (0.84) HSD11B1ADRA1ADRD2HTR1AADRA2A
SCHEMBL9119375 1.00 HSD11B1 (0.84) HSD11B1ADRA1ADRD2HTR1AADRA2A
Hydrochloric Acid SCHEMBL9441191 0.99 HSD11B1 (0.82) HSD11B1ADRA1ADRD2HTR1AADRA2A
Hydrochloric Acid SCHEMBL9121202 0.99 HSD11B1 (0.82) HSD11B1ADRA1ADRD2HTR1AADRA2A
SCHEMBL1870138 0.92 HSD11B1 (1.00) HSD11B1ADRA1ADRD2HTR1A
SCHEMBL9964002 0.92 HSD11B1 (1.00) HSD11B1ADRA1ADRD2HTR1A
SCHEMBL1871835 0.92 HSD11B1 (1.00) HSD11B1ADRA1ADRD2HTR1A
SCHEMBL1868061 0.92 HSD11B1 (1.00) HSD11B1ADRA1ADRD2HTR1A
SCHEMBL15139395 0.92 HSD11B1 (1.00) HSD11B1ADRA1ADRD2HTR1A
SCHEMBL1870135 0.92 HSD11B1 (1.00) HSD11B1ADRA1ADRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548664-B1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives HOFFMANN LA ROCHE (CH) 1995-05-31 EP disclosed
US-5318967-A Cognition activators for alzheimer's disease, learning enhancement HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
US-5318966-A Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
EP-0548664-A1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP disclosed