SCHEMBL8567659

SCHEMBL8567659

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.64
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
ACHE P22303 6/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
MAPK1 P28482 6/20 0.45
HDAC8 Q9BY41 3/20 0.44
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL8567663 1.00 EPHX2 (0.64) EPHX2CA1CA2ACHEMTNR1A
SCHEMBL8568435 0.84 EPHX2 (0.68) EPHX2CA1CA2MTNR1AMTNR1B
SCHEMBL8568429 0.84 EPHX2 (0.68) EPHX2CA1CA2MTNR1AMTNR1B
SCHEMBL4830429 0.84 EPHX2 (0.68) EPHX2CA1CA2MTNR1AMTNR1B
SCHEMBL429344 0.82 EPHX2 (0.66) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8562865 0.81 EPHX2 (0.65) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561735 0.81 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561743 0.81 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561739 0.81 EPHX2 (0.78) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8562858 0.81 EPHX2 (0.65) 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