SCHEMBL8960882

SCHEMBL8960882

CCc1cc(CCNC(C)=O)c2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.67
MTNR1B P49286 12/20 0.60
HTR2C P28335 2/20 0.56

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
SCHEMBL8961085 0.92 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL8961184 0.89 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL8961121 0.88 MTNR1A (0.71) MTNR1AMTNR1BHTR2C
SCHEMBL8960824 0.86 MTNR1A (0.69) MTNR1AMTNR1BHTR2C
SCHEMBL8961249 0.85 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL13523864 0.85 MTNR1A (0.74) MTNR1AMTNR1BHTR2C
SCHEMBL8961125 0.85 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL6258031 0.84 MTNR1A (0.84) MTNR1AMTNR1BHTR2C
SCHEMBL8961098 0.84 MTNR1A (0.72) MTNR1AMTNR1BHTR2C
SCHEMBL8961104 0.83 MTNR1A (0.77) MTNR1AMTNR1B

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