SCHEMBL8899676

SCHEMBL8899676

COc1cccc2c1[C@@H]1CC(=O)N(C(C)C)[C@@H]1CC2

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.54
DRD2 P14416 5/20 0.49

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
SCHEMBL8899678 1.00 HTR1A (0.54) HTR1ADRD2
SCHEMBL9118060 0.78 HTR1A (0.65) HTR1ADRD2
SCHEMBL9118053 0.78 HTR1A (0.65) HTR1ADRD2
SCHEMBL8902008 0.76 HTR1A (0.67) HTR1ADRD2
SCHEMBL8902000 0.76 HTR1A (0.67) HTR1ADRD2
SCHEMBL8808944 0.70 HTR1A (1.00) HTR1ADRD2
SCHEMBL7884970 0.69 HTR1A (0.48) HTR1ADRD2
SCHEMBL8810279 0.68 HTR1A (1.00) HTR1ADRD2
SCHEMBL8810282 0.68 HTR1A (1.00) HTR1ADRD2
Hydrochloric Acid SCHEMBL8901588 0.68 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482084-B1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES UPJOHN CO (US) 1997-05-07 EP disclosed
US-5491236-A NERVOUS SYTEM DISORDERS THE UPJOHN COMPANY (US) 1996-02-13 US disclosed
WO-1991000856-A2 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-24 WO disclosed