SCHEMBL8700215

SCHEMBL8700215

COc1ccc2cccc3c2c1CC(F)(NC(C)=O)C3=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.43
MTNR1B P49286 10/20 0.43
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8410013 0.72 KDM4E (0.60) MTNR1AMTNR1BKDM4ELMNAPOLB
SCHEMBL10615237 0.67 MTNR1B (0.42) MTNR1AMTNR1B
SCHEMBL6635759 0.67 MEN1 (0.56) MTNR1AMTNR1BKDM4EMAPT
SCHEMBL6635718 0.65 MEN1 (0.50) MTNR1AMTNR1BKDM4EMAPT
SCHEMBL18071522 0.63 ACHE (0.49) KDM4ELMNAPOLBMAPT
SCHEMBL6633100 0.63 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL6633475 0.63 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL6633479 0.63 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL6633781 0.63 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL8410015 0.62 MTNR1A (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712312-A MELATONINERGIC RECEPTOR LIGANDS, TREATMENT OF SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed