SCHEMBL17864764

SCHEMBL17864764

C=C/C=C(\C)COc1cc2c(cc1OC)C(CS(=O)(=O)C1=NNNN1c1ccccc1)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.39
MTNR1A P48039 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 4/20 0.37
GRIN2C Q14957 1/20 0.37

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 0.88 MTNR1B (0.43) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17864800 0.77 MTNR1B (0.43) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17821679 0.73 MTNR1B (0.46) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17821818 0.72 MTNR1B (0.45) MTNR1BMTNR1AMEN1KMT2A
SCHEMBL17864820 0.71 MTNR1B (0.45) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17821736 0.69 MTNR1B (0.55) MTNR1BMTNR1AMEN1KMT2AGRIN2C
SCHEMBL12394508 0.69 MTNR1B (0.52) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL20909487 0.68 MTNR1B (0.44) MTNR1BMTNR1AMEN1KMT2APDE4D
SCHEMBL17864720 0.66 MTNR1B (0.46) MTNR1BMTNR1AMEN1KMT2A
SCHEMBL5090978 0.66 CYP3A4 (0.64) MTNR1BMTNR1AMEN1KMT2AGRIN2C

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