SCHEMBL9118053

SCHEMBL9118053

CCCN1C(=O)C[C@H]2c3c(cccc3OC)CC[C@H]21

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.65
DRD2 P14416 6/20 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
SCHEMBL9118060 1.00 HTR1A (0.65) HTR1ADRD2
SCHEMBL9123331 0.85 HTR1A (0.63) HTR1ADRD2
SCHEMBL9123328 0.85 HTR1A (0.63) HTR1ADRD2
SCHEMBL8902008 0.84 HTR1A (0.67) HTR1ADRD2
SCHEMBL8902000 0.84 HTR1A (0.67) HTR1ADRD2
SCHEMBL8899678 0.78 HTR1A (0.54) HTR1ADRD2
SCHEMBL8810279 0.78 HTR1A (1.00) HTR1ADRD2
SCHEMBL8810282 0.78 HTR1A (1.00) HTR1ADRD2
SCHEMBL8899676 0.78 HTR1A (0.54) HTR1ADRD2
Hydrochloric Acid SCHEMBL8901588 0.78 HTR1A (0.97) HTR1ADRD2

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