SCHEMBL8960796

SCHEMBL8960796

CCCNC(=O)NCCc1cc(CC)cc2ccc(OC)cc12

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.71
HTR2C P28335 3/20 0.60
MTNR1B P49286 3/20 0.54

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
SCHEMBL8961090 0.93 MTNR1A (0.71) MTNR1AHTR2CMTNR1B
SCHEMBL8961204 0.91 MTNR1A (0.66) MTNR1AHTR2CMTNR1B
SCHEMBL8961082 0.91 MTNR1A (0.71) MTNR1AHTR2CMTNR1B
SCHEMBL8961006 0.88 MTNR1A (0.71) MTNR1AHTR2CMTNR1B
SCHEMBL6258031 0.88 MTNR1A (0.84) MTNR1AHTR2CMTNR1B
SCHEMBL8960850 0.88 MTNR1A (0.79) MTNR1AHTR2CMTNR1B
SCHEMBL8961237 0.87 MTNR1A (0.70) MTNR1AHTR2CMTNR1B
SCHEMBL8961193 0.87 MTNR1A (0.76) MTNR1AHTR2CMTNR1B
SCHEMBL8961037 0.86 MTNR1A (0.74) MTNR1AHTR2CMTNR1B
SCHEMBL8961102 0.85 MTNR1A (0.69) 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