SCHEMBL8566565

SCHEMBL8566565

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAPK1 P28482 7/20 0.41
HDAC8 Q9BY41 4/20 0.39
KCNA3 P22001 1/20 0.39
CYP3A4 P08684 1/20 0.38
BRD4 O60885 1/20 0.38
CASP1 P29466 1/20 0.37
NAAA Q02083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8566568 1.00 EPHX2 (0.62) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8566563 1.00 EPHX2 (0.62) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8565940 0.84 EPHX2 (0.70) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8565942 0.84 EPHX2 (0.70) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8564016 0.81 EPHX2 (0.67) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8564012 0.81 EPHX2 (0.67) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8564020 0.81 EPHX2 (0.67) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561735 0.80 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561739 0.80 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561743 0.80 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8

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