SCHEMBL8961017

SCHEMBL8961017

CCCNC(=O)NCCc1cc(C(=O)C2CC2)cc2ccc(OC)cc12

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.79
HTR2C P28335 2/20 0.53
MTNR1B P49286 3/20 0.52

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
SCHEMBL8960962 0.91 MTNR1A (0.81) MTNR1AHTR2CMTNR1B
SCHEMBL8961130 0.91 MTNR1A (0.81) MTNR1AHTR2CMTNR1B
SCHEMBL8961173 0.90 MTNR1A (0.82) MTNR1AHTR2CMTNR1B
SCHEMBL8610833 0.89 MTNR1A (1.00) MTNR1AHTR2CMTNR1B
SCHEMBL8961253 0.89 MTNR1A (0.84) MTNR1AMTNR1B
SCHEMBL8961062 0.87 MTNR1A (0.80) MTNR1AHTR2CMTNR1B
SCHEMBL6075651 0.86 MTNR1A (0.59) MTNR1AMTNR1B
SCHEMBL8961237 0.86 MTNR1A (0.70) MTNR1AHTR2CMTNR1B
SCHEMBL8961075 0.86 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL8960969 0.82 MTNR1A (0.79) 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