SCHEMBL8128784

SCHEMBL8128784

COc1ccc2oc(Cc3ccccc3)c(CC#N)c2c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.60
MTNR1B P49286 18/20 0.60
PPARG P37231 1/20 0.46

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
SCHEMBL8133947 0.93 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL8125047 0.92 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL8118135 0.88 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL8130738 0.88 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL8127257 0.87 MTNR1A (0.63) MTNR1AMTNR1BPPARG
SCHEMBL8118138 0.87 MTNR1A (0.64) MTNR1AMTNR1BPPARG
SCHEMBL8127457 0.86 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL8126605 0.85 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL8132270 0.83 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL8132419 0.83 MTNR1A (0.63) 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 2 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
EP-0926145-A1 Napthalene compounds, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-30 EP disclosed