SCHEMBL8961253

SCHEMBL8961253

COc1ccc2cc(C(=O)C3CC3)cc(CCNC(=O)C3CC3)c2c1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.84
MTNR1B P49286 11/20 0.66
ALDH1A1 P00352 2/20 0.61
NQO2 P16083 1/20 0.60
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL8961075 0.97 MTNR1A (0.79) MTNR1AMTNR1BALDH1A1NQO2KDM4E
SCHEMBL8529185 0.91 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1NQO2KDM4E
SCHEMBL8610833 0.91 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8961207 0.90 MTNR1A (0.82) MTNR1AMTNR1BALDH1A1NQO2KDM4E
SCHEMBL8961173 0.90 MTNR1A (0.82) MTNR1AMTNR1B
SCHEMBL8960962 0.89 MTNR1A (0.81) MTNR1AMTNR1B
SCHEMBL8961130 0.89 MTNR1A (0.81) MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL8961017 0.89 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL8961069 0.88 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL8961088 0.88 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1NQO2

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