SCHEMBL8409643

SCHEMBL8409643

COc1cc2ccccc2c2c1CC(NC(=O)C1CC1)CC2

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.61
MTNR1B P49286 9/20 0.61
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPY5R Q15761 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
SCHEMBL8409866 0.96 MTNR1A (0.56) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL8410102 0.88 MTNR1A (0.59) MTNR1AMTNR1BMAPTALDH1A1NPSR1
SCHEMBL8409835 0.88 MTNR1A (0.61) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL8410162 0.84 MTNR1A (0.44) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL8409648 0.84 MTNR1A (0.59) MTNR1AMTNR1BMAPTALDH1A1NPSR1
SCHEMBL8407080 0.82 MTNR1A (0.61) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL8409684 0.80 CYP1A2 (0.57) MAPTCYP1A2ALOX15ALDH1A1NPSR1
SCHEMBL8406956 0.78 MTNR1A (0.56) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL81120 0.76 MTNR1A (1.00) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL8406932 0.74 ADRA1A (0.60) MAPTALDH1A1NPSR1

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