SCHEMBL8960946

SCHEMBL8960946

C=CCOc1ccc2cc(CC)cc(CCNC(C)=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.67
MTNR1A P48039 18/20 0.62
MTNR1B P49286 8/20 0.55

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
SCHEMBL8961028 0.88 MTNR1A (0.62) HTR2CMTNR1AMTNR1B
SCHEMBL8961038 0.88 MTNR1A (0.74) HTR2CMTNR1AMTNR1B
SCHEMBL8961121 0.88 MTNR1A (0.71) HTR2CMTNR1AMTNR1B
SCHEMBL8960824 0.86 MTNR1A (0.69) HTR2CMTNR1AMTNR1B
SCHEMBL6258031 0.84 MTNR1A (0.84) HTR2CMTNR1AMTNR1B
SCHEMBL8961098 0.84 MTNR1A (0.72) HTR2CMTNR1AMTNR1B
SCHEMBL7837695 0.84 MTNR1A (0.80) HTR2CMTNR1AMTNR1B
SCHEMBL8960953 0.83 MTNR1A (0.72) HTR2CMTNR1AMTNR1B
SCHEMBL8960882 0.83 MTNR1A (0.67) HTR2CMTNR1AMTNR1B
SCHEMBL8961218 0.82 MTNR1A (0.68) HTR2CMTNR1AMTNR1B

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