SCHEMBL8568800

SCHEMBL8568800

COCCOC[C@@H]1CNc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
EPHX2 P34913 1/20 0.39
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
NAMPT P43490 1/20 0.31
MAPK1 P28482 2/20 0.31
CYP19A1 P11511 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8562991 0.87 MTNR1A (0.50) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8562997 0.87 MTNR1A (0.50) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL7418106 0.86 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL7418105 0.86 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8561678 0.86 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8569794 0.84 MTNR1A (0.52) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8569790 0.84 MTNR1A (0.52) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL13610207 0.82 MTNR1A (0.46) MTNR1AMTNR1BEPHX2
SCHEMBL8568454 0.81 MTNR1A (0.50) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8568641 0.77 MTNR1A (0.46) MTNR1AMTNR1BEPHX2MEN1KMT2A

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