SCHEMBL8128191

SCHEMBL8128191

COc1ccc2oc(-c3ccccc3)c(CCNC(C)=O)c2c1

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 20/20 1.00
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL8127354 0.89 MTNR1A (0.80) MTNR1AMTNR1BKDM4EALDH1A1CYP3A4
SCHEMBL8131821 0.87 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8131312 0.86 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8124279 0.86 MTNR1A (0.75) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL8126347 0.86 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8124513 0.83 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6251228 0.82 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL6257501 0.82 MTNR1A (0.69) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL8133068 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8127311 0.80 MTNR1A (0.76) 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
US-6147110-A MELATONINERGIC AGENTS; SLEEP, EATING, CENTRAL NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2000-11-14 US disclosed
JP-2000239270-A NEW HETEROCYCLIC COMPOUND, ITS PRODUCTION, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ADIR 2000-09-05 JP disclosed
EP-0926145-A1 Napthalene compounds, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-30 EP disclosed