SCHEMBL8961006

SCHEMBL8961006

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

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.71
MTNR1B P49286 4/20 0.67
HTR2C P28335 2/20 0.60
KDM4E B2RXH2 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL8961102 0.94 MTNR1A (0.69) MTNR1AMTNR1BHTR2CKDM4EHSD17B10
SCHEMBL8960848 0.93 MTNR1A (0.74) MTNR1AMTNR1BHTR2CKDM4EHSD17B10
SCHEMBL8961193 0.92 MTNR1A (0.76) MTNR1AMTNR1BHTR2C
SCHEMBL8960796 0.88 MTNR1A (0.71) MTNR1AMTNR1BHTR2C
SCHEMBL6258031 0.88 MTNR1A (0.84) MTNR1AMTNR1BHTR2C
SCHEMBL8960988 0.88 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL8960891 0.87 MTNR1A (0.70) MTNR1AMTNR1BHTR2CKDM4ETSHR
SCHEMBL8961082 0.86 MTNR1A (0.71) MTNR1AMTNR1BHTR2C
SCHEMBL8961090 0.86 MTNR1A (0.71) MTNR1AMTNR1BHTR2C
SCHEMBL5929496 0.86 MTNR1A (0.64) MTNR1AMTNR1BKDM4ETSHRHSD17B10

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