SCHEMBL8116804

SCHEMBL8116804

CC(=O)NCCc1c(Cc2ccccc2)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 1.00
MTNR1B P49286 19/20 1.00
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL8132802 0.87 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8124232 0.86 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8132997 0.86 MTNR1A (0.78) MTNR1AMTNR1B
SCHEMBL8124513 0.84 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8133077 0.83 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL7165844 0.82 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL7167995 0.81 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL8125934 0.81 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL8125930 0.80 MTNR1A (0.67) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL8118118 0.79 MTNR1A (0.75) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1249043-C New heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2006-04-05 CN disclosed
US-6147110-A MELATONINERGIC AGENTS; SLEEP, EATING, CENTRAL NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2000-11-14 US disclosed
EP-0926145-A1 Napthalene compounds, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-30 EP disclosed