SCHEMBL8568797

SCHEMBL8568797

CCO[C@@H](OC)[C@@H]1CNc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX2 P34913 1/20 0.38
BRD4 O60885 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CREBBP Q92793 1/20 0.31
FFAR1 O14842 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGB5 P18084 1/20 0.30

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
SCHEMBL8562992 0.88 EPHX2 (0.43) MTNR1AMTNR1BEPHX2BRD4MEN1
SCHEMBL8569787 0.78 EPHX2 (0.42) MTNR1AMTNR1BEPHX2BRD4MEN1
SCHEMBL8569796 0.78 EPHX2 (0.42) MTNR1AMTNR1BEPHX2BRD4MEN1
SCHEMBL12610368 0.74 MTNR1A (0.44) MTNR1AMTNR1BEPHX2BRD4MEN1
SCHEMBL881106 0.74 MTNR1A (0.44) MTNR1AMTNR1BEPHX2BRD4MEN1
SCHEMBL29332740 0.74 MTNR1A (0.44) MTNR1AMTNR1BEPHX2BRD4MEN1
SCHEMBL7415028 0.70 MTNR1A (0.48) MTNR1AMTNR1BEPHX2BRD4MEN1
SCHEMBL7415031 0.70 MTNR1A (0.48) MTNR1AMTNR1BEPHX2BRD4MEN1
SCHEMBL2931724 0.69 MTNR1A (0.48) MTNR1AMTNR1BEPHX2BRD4MEN1
SCHEMBL8568802 0.69 MTNR1A (0.48) MTNR1AMTNR1BEPHX2BRD4MEN1

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