SCHEMBL8562035

SCHEMBL8562035

CC(=O)[C@H]1CNc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
EPHX2 P34913 1/20 0.50
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
BRD4 O60885 2/20 0.40
CREBBP Q92793 1/20 0.40
HSD17B3 P37058 1/20 0.39
MAPK1 P28482 3/20 0.38
IDH1 O75874 1/20 0.36
FAAH O00519 1/20 0.36
NOTUM Q6P988 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8562039 1.00 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562033 1.00 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL28038780 0.84 GAA (0.54) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL29463686 0.84 GAA (0.54) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL30288898 0.84 GAA (0.54) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL924219 0.84 GAA (0.54) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562595 0.84 GAA (0.54) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL5400206 0.83 MTNR1A (0.43) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL31181154 0.83 MTNR1A (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL28114454 0.83 GAA (0.53) MTNR1AMTNR1BEPHX2GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed