SCHEMBL8961291

SCHEMBL8961291

CC(=O)NCCc1cc(Cc2ccccc2)cc2ccc(OCC3CC3)cc12

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.73
HTR2C P28335 2/20 0.63
MTNR1B P49286 11/20 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
SCHEMBL8961218 0.88 MTNR1A (0.68) MTNR1AHTR2CMTNR1B
SCHEMBL8961085 0.87 MTNR1A (0.80) MTNR1AHTR2CMTNR1B
SCHEMBL8961125 0.87 MTNR1A (0.80) MTNR1AHTR2CMTNR1B
SCHEMBL8070336 0.86 MTNR1A (0.72) MTNR1AHTR2CMTNR1B
SCHEMBL8961104 0.85 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL8960681 0.85 MTNR1A (0.63) MTNR1AHTR2CMTNR1B
SCHEMBL8610088 0.85 MTNR1A (1.00) MTNR1AHTR2CMTNR1B
SCHEMBL8961094 0.85 MTNR1A (0.73) MTNR1AHTR2CMTNR1B
SCHEMBL8961271 0.84 MTNR1A (0.72) MTNR1AHTR2CMTNR1B
SCHEMBL8961038 0.83 MTNR1A (0.74) MTNR1AHTR2CMTNR1B

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