SCHEMBL8961005

SCHEMBL8961005

CCC(=O)NCCc1cc(C(=O)CC)cc2ccc(OC)cc12

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.83
MTNR1B P49286 6/20 0.62

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
SCHEMBL8961254 0.93 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL8961030 0.91 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8610577 0.91 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8961062 0.89 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL8961099 0.89 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL8961115 0.87 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL8961173 0.87 MTNR1A (0.82) MTNR1AMTNR1B
SCHEMBL8961207 0.87 MTNR1A (0.82) MTNR1AMTNR1B
SCHEMBL8961172 0.86 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL8961193 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552418-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1996-09-03 US disclosed