SCHEMBL8567784

SCHEMBL8567784

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
BRD4 O60885 1/20 0.48
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 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
SCHEMBL30576465 1.00 MTNR1A (0.49) MTNR1AMTNR1BBRD4EPHX2KDM4E
SCHEMBL8567787 1.00 MTNR1A (0.49) MTNR1AMTNR1BBRD4EPHX2KDM4E
SCHEMBL431522 1.00 MTNR1A (0.49) MTNR1AMTNR1BBRD4EPHX2KDM4E
SCHEMBL8304093 0.86 MTNR1A (0.50) MTNR1AMTNR1BBRD4EPHX2KMT2A
SCHEMBL13610178 0.84 PPARG (0.45) MTNR1AMTNR1BEPHX2KDM4ETSHR
SCHEMBL2031526 0.84 EPHX2 (0.53) MTNR1AMTNR1BBRD4EPHX2KMT2A
SCHEMBL8562539 0.84 EPHX2 (0.53) MTNR1AMTNR1BBRD4EPHX2KMT2A
SCHEMBL8562535 0.84 EPHX2 (0.53) MTNR1AMTNR1BBRD4EPHX2KMT2A
SCHEMBL10148374 0.83 ALDH1A1 (0.42) KDM4ETSHRKMT2AALDH1A1MEN1
SCHEMBL7499391 0.81 MTNR1A (0.46) MTNR1AMTNR1BBRD4EPHX2KDM4E

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