SCHEMBL8406908

SCHEMBL8406908

COc1c2c(cc3ccccc13)CCC(N)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
PLAU P00749 1/20 0.42
NR2E1 Q9Y466 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL8409922 0.79 CYP1A2 (0.47)
SCHEMBL8408962 0.77 MTNR1A (0.59)
SCHEMBL8409903 0.76 ADRA1A (0.60) ADRA1ADRD2DRD3NR2E1HTR1D
SCHEMBL8406932 0.76 ADRA1A (0.60) ADRA1ADRD2DRD3NR2E1HTR1D
SCHEMBL8407080 0.75 MTNR1A (0.61)
SCHEMBL8409531 0.74 MTNR1A (0.61)
SCHEMBL8406946 0.74 MTNR1A (0.44)
SCHEMBL6959304 0.70 ADRA1A (0.47) ADRA1ADRD2DRD3HTR1DHTR1B
Hydrochloric Acid SCHEMBL6951794 0.69 ADRA1A (0.46) ADRA1ADRD2DRD3HTR1DHTR1B
SCHEMBL10618504 0.69 ADRA1A (0.54) ADRA1ADRD2DRD3

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