SCHEMBL8961174

SCHEMBL8961174

CCc1cc(CCNC(C)=O)c2cc(OC3=CCCCC3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.57
HTR2C P28335 4/20 0.54
MTNR1B P49286 8/20 0.48
HTR2B P41595 1/20 0.45

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
SCHEMBL8961022 0.89 MTNR1A (0.54) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL8961093 0.89 MTNR1A (0.68) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL8961241 0.83 MTNR1A (0.68) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL6258031 0.80 MTNR1A (0.84) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL8961160 0.79 MTNR1A (0.73) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL8961121 0.79 MTNR1A (0.71) MTNR1AHTR2CMTNR1B
SCHEMBL8960824 0.77 MTNR1A (0.69) MTNR1AHTR2CMTNR1B
SCHEMBL8961218 0.76 MTNR1A (0.68) MTNR1AHTR2CMTNR1B
SCHEMBL8961098 0.76 MTNR1A (0.72) MTNR1AHTR2CMTNR1B
SCHEMBL8960946 0.75 HTR2C (0.67) MTNR1AHTR2CMTNR1B

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