SCHEMBL8564016

SCHEMBL8564016

CCCOC(=O)N[C@H]1CNc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.67
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
MAPK1 P28482 6/20 0.46
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
BRD4 O60885 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
NAAA Q02083 5/20 0.39
ASAH1 Q13510 1/20 0.39

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
SCHEMBL8564012 1.00 EPHX2 (0.67) EPHX2MTNR1AMTNR1BMAPK1CA1
SCHEMBL8564020 1.00 EPHX2 (0.67) EPHX2MTNR1AMTNR1BMAPK1CA1
SCHEMBL8565940 0.90 EPHX2 (0.70) EPHX2MTNR1AMTNR1BMAPK1CA1
SCHEMBL8565942 0.90 EPHX2 (0.70) EPHX2MTNR1AMTNR1BMAPK1CA1
SCHEMBL8561735 0.84 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561743 0.84 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561739 0.84 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8566563 0.81 EPHX2 (0.62) EPHX2MTNR1AMTNR1BMAPK1BRD4
SCHEMBL8566565 0.81 EPHX2 (0.62) EPHX2MTNR1AMTNR1BMAPK1BRD4
SCHEMBL8566568 0.81 EPHX2 (0.62) EPHX2MTNR1AMTNR1BMAPK1BRD4

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