SCHEMBL8562147

SCHEMBL8562147

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
EPHX2 P34913 1/20 0.50
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 4/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 1/20 0.37
POLB P06746 1/20 0.37
HSD17B3 P37058 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 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
SCHEMBL8562150 1.00 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562145 1.00 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8086570 0.86 MTNR1A (0.50) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL9036114 0.86 MTNR1A (0.50) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL17049225 0.85 EPHX2 (0.54) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL29073380 0.84 MTNR1A (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8564566 0.84 EPHX2 (0.53) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL9035962 0.84 MTNR1A (0.49) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8564559 0.84 EPHX2 (0.53) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8564568 0.84 EPHX2 (0.53) MTNR1AMTNR1BEPHX2GAAMAPT

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