SCHEMBL8410102

SCHEMBL8410102

COc1cc2ccccc2c2c1CC(NC(C)=O)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.59
MTNR1B P49286 7/20 0.59
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL8409648 0.95 MTNR1A (0.59) MTNR1AMTNR1BALDH1A1MAPTNPSR1
SCHEMBL8409643 0.88 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1MAPTNPSR1
SCHEMBL8409835 0.87 MTNR1A (0.61) MTNR1AMTNR1BMAPT
SCHEMBL8409866 0.86 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1MAPTNPSR1
SCHEMBL8410162 0.86 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1MAPTNPSR1
SCHEMBL8408962 0.81 MTNR1A (0.59) MTNR1AMTNR1BMAPT
SCHEMBL11496541 0.81 MTNR1A (0.72) MTNR1AMTNR1BMAPTCA1CA2
SCHEMBL8409684 0.79 CYP1A2 (0.57) ALDH1A1MAPTNPSR1
SCHEMBL8406932 0.76 ADRA1A (0.60) ALDH1A1MAPTNPSR1
SCHEMBL11041746 0.75 MTNR1A (0.64) MTNR1AMTNR1BMAPTCA1CA2

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