SCHEMBL8961185

SCHEMBL8961185

CNC(=O)NCCc1cc(Cc2ccccc2)cc2ccc(OC)cc12

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.82
MTNR1B P49286 8/20 0.59
HTR2C P28335 2/20 0.57
NQO2 P16083 1/20 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
SCHEMBL8960850 0.92 MTNR1A (0.79) MTNR1AMTNR1BHTR2C
SCHEMBL8961078 0.92 MTNR1A (0.79) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL8610088 0.90 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL8961287 0.88 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL8961196 0.88 MTNR1A (0.73) MTNR1AMTNR1BHTR2C
SCHEMBL8961082 0.88 MTNR1A (0.71) MTNR1AMTNR1BHTR2C
SCHEMBL8960988 0.87 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL8068522 0.86 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL8961043 0.85 MTNR1A (0.78) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL8961161 0.85 MTNR1A (0.69) MTNR1AMTNR1BHTR2C

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