SCHEMBL8960933

SCHEMBL8960933

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

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.73
MTNR1B P49286 8/20 0.55
HTR2C P28335 2/20 0.53

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
SCHEMBL8961140 0.89 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8960953 0.88 MTNR1A (0.72) MTNR1AMTNR1BHTR2C
SCHEMBL8960920 0.86 MTNR1A (0.71) MTNR1AMTNR1BHTR2C
SCHEMBL8961226 0.85 MTNR1A (0.74) MTNR1AMTNR1BHTR2C
SCHEMBL7831321 0.84 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL8961107 0.84 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL6248768 0.84 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL8961028 0.83 MTNR1A (0.62) MTNR1AMTNR1BHTR2C
SCHEMBL8961081 0.83 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL8960681 0.82 MTNR1A (0.63) 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