SCHEMBL8961233

SCHEMBL8961233

O=C(c1ccccc1)c1cc(CCNC(=O)C2CC2)c2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.54
MTNR1B P49286 5/20 0.50
NQO2 P16083 1/20 0.50
HTR1A P08908 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
GAA P10253 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
SCHEMBL8961217 0.95 MTNR1A (0.56) MTNR1AMTNR1BNQO2HTR1AHTR1B
SCHEMBL8961285 0.88 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL8961222 0.87 MTNR1A (0.71) MTNR1AMTNR1BNQO2
SCHEMBL8961269 0.86 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL8961088 0.85 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL8960863 0.85 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL8065738 0.83 MTNR1A (0.52) MTNR1AMTNR1BNQO2HTR1AHTR1B
SCHEMBL8960838 0.83 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8961055 0.83 MTNR1A (0.73) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL8961119 0.82 MTNR1A (0.65) MTNR1AMTNR1BNQO2

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