SCHEMBL8407113

SCHEMBL8407113

COc1ccc2ccc(O)c3c2c1CC(NC(C)=O)C3=O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TUBB1 Q9H4B7 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 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
SCHEMBL8409761 0.91 KDM4E (0.48) KDM4ELMNAPOLBMAPTMTNR1A
SCHEMBL8410013 0.81 KDM4E (0.60) KDM4ELMNAPOLBMAPTMTNR1A
SCHEMBL8409849 0.76 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL7655081 0.68 LMNA (0.62) KDM4ELMNAPOLBMAPTMTNR1A
SCHEMBL8410015 0.68 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL11874244 0.68 ACHE (0.78) KDM4EMEN1KMT2AACHE
SCHEMBL6633740 0.67 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL6081151 0.66 CA1 (0.43) MTNR1AMTNR1B
SCHEMBL10793191 0.65 MAPT (0.54) KDM4ELMNAPOLBMAPTMTNR1A
SCHEMBL6634278 0.63 MTNR1A (0.69) MTNR1AMTNR1B

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