SCHEMBL17864800

SCHEMBL17864800

COc1cc2c(cc1OCc1ccccc1)CCN(C(=O)OC(C)(C)C)C2CS(=O)(=O)C1=NN(C)NN1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.43
MTNR1A P48039 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4D Q08499 2/20 0.42
GHSR Q92847 4/20 0.42
CHRNA7 P36544 2/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL17864742 0.89 MTNR1B (0.43) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17821679 0.84 MTNR1B (0.46) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17821818 0.83 MTNR1B (0.45) MTNR1BMTNR1AMEN1KMT2AGHSR
SCHEMBL17821736 0.81 MTNR1B (0.55) MTNR1BMTNR1AMEN1KMT2ACHRNA7
SCHEMBL20909487 0.80 MTNR1B (0.44) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL12394508 0.79 MTNR1B (0.52) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17864764 0.77 MTNR1B (0.39) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17864720 0.77 MTNR1B (0.46) MTNR1BMTNR1AMEN1KMT2AGHSR
SCHEMBL17821749 0.77 GHSR (0.54) MTNR1BMTNR1AMEN1KMT2AGHSR
SCHEMBL20705812 0.76 MTNR1B (0.45) MTNR1BMTNR1AMEN1KMT2APDE4D

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-2016100391-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. (US) 2016-06-23 WO disclosed