SCHEMBL8822709

SCHEMBL8822709

CCOc1ccc2[nH]cc(C(C)CNC=O)c2c1.COc1ccc2[nH]cc(C(CNC(C)=O)C(C)C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.68
MTNR1B P49286 8/20 0.68
TRPV1 Q8NER1 2/20 0.49
HTR2B P41595 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A1 P04798 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
NQO2 P16083 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 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
SCHEMBL7055969 0.86 MTNR1A (0.79) MTNR1AMTNR1BTRPV1HTR2BHTR2A
SCHEMBL7052855 0.84 MTNR1A (0.55) MTNR1AMTNR1BTRPV1HTR2BHTR2A
SCHEMBL9671286 0.82 MTNR1A (1.00) MTNR1AMTNR1BTRPV1HTR2BHTR2A
SCHEMBL9671722 0.82 MTNR1A (1.00) MTNR1AMTNR1BTRPV1HTR2BHTR2A
SCHEMBL7055939 0.82 MTNR1A (1.00) MTNR1AMTNR1BTRPV1HTR2BHTR2A
SCHEMBL7051639 0.77 MTNR1A (0.52) MTNR1AMTNR1BTRPV1HTR2BHTR2A
SCHEMBL7055786 0.74 MTNR1A (0.75) MTNR1AMTNR1BTRPV1HTR2BHTR2A
SCHEMBL8437093 0.74 MTNR1A (0.78) MTNR1AMTNR1BTRPV1HTR2BHTR2A
SCHEMBL7055084 0.73 MTNR1A (0.54) MTNR1AMTNR1BTRPV1HTR2BHTR2A
SCHEMBL10566437 0.73 MTNR1A (0.77) MTNR1AMTNR1BTRPV1HTR2BHTR2A

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
WO-1997000069-A1 MELATONIN AGONISTS FOR TREATING BENIGN PROSTATIC HYPERPLASIA ELI LILLY AND COMPANY (US) 1997-01-03 WO disclosed