SCHEMBL8560988

SCHEMBL8560988

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
EPHX2 P34913 1/20 0.50
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA7 P36544 1/20 0.38
HPGD P15428 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 4/20 0.35
TSHR P16473 1/20 0.35
NPY5R Q15761 2/20 0.35

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
SCHEMBL8560985 1.00 MTNR1A (0.52) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8560984 1.00 MTNR1A (0.52) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562033 0.82 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562039 0.82 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562035 0.82 MTNR1A (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL4800164 0.81 HPGD (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL17432673 0.81 HPGD (0.56) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562535 0.81 EPHX2 (0.53) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562539 0.81 EPHX2 (0.53) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL2031526 0.81 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