SCHEMBL8409903

SCHEMBL8409903

COc1cc2ccccc2c2c1CCC(N)C2

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.60
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR2E1 Q9Y466 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL8406932 0.94 ADRA1A (0.60) ADRA1ADRD2DRD3ALDH1A1MAPT
SCHEMBL24734855 0.76 ADRA1A (1.00) ADRA1ADRD2DRD3HTR1DHTR1B
SCHEMBL8406908 0.76 ADRA1A (0.48) ADRA1ADRD2DRD3NR2E1HTR1D
SCHEMBL8409648 0.76 MTNR1A (0.59) ALDH1A1MAPTNPSR1
Hydrochloric Acid SCHEMBL8669188 0.75 ADRA1A (0.96) ADRA1ADRD2DRD3HTR1DHTR1B
Bromide SCHEMBL25243558 0.75 ADRA1A (0.96) ADRA1ADRD2DRD3HTR1DHTR1B
Hydrochloric Acid SCHEMBL30861222 0.75 ADRA1A (0.96) ADRA1ADRD2DRD3HTR1DHTR1B
SCHEMBL25246966 0.74 ADRA1A (0.65) ADRA1ADRD2DRD3HTR1DHTR1B
SCHEMBL30510677 0.74 ADRA1A (0.65) ADRA1ADRD2DRD3HTR1DHTR1B
SCHEMBL8409684 0.73 CYP1A2 (0.57) ALDH1A1MAPTNPSR1DPP4

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-0737670-B1 Tricyclic amides, processes for their preparation, and pharmaceutical compositions containing them ADIR (FR) 1999-07-21 EP disclosed
US-5849781-A Tricyclic amides ADIR ET COMPAGNIE (FR) 1998-12-15 US disclosed
US-5712312-A MELATONINERGIC RECEPTOR LIGANDS, TREATMENT OF SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed
EP-0737670-A1 Tricyclic amides, processes for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-10-16 EP disclosed