SCHEMBL8561735

SCHEMBL8561735

COC(=O)NC1CNc2ccccc2C1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.78
MAPK1 P28482 6/20 0.53
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
HDAC8 Q9BY41 6/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 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
SCHEMBL8561739 1.00 EPHX2 (0.78) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8561743 1.00 EPHX2 (0.78) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL464351 0.87 EPHX2 (1.00) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8565940 0.86 EPHX2 (0.70) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8565942 0.86 EPHX2 (0.70) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8568435 0.85 EPHX2 (0.68) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8568429 0.85 EPHX2 (0.68) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL4830429 0.85 EPHX2 (0.68) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8564012 0.84 EPHX2 (0.67) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8564020 0.84 EPHX2 (0.67) EPHX2MAPK1MTNR1AMTNR1BHDAC8

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