SCHEMBL7848652

SCHEMBL7848652

CC/C=C(/C(=O)S)c1ccc2ccccc2c1CCNC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
SLC2A1 P11166 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
SCHEMBL6077494 0.90 MTNR1A (0.42) MTNR1AMTNR1BSLC2A1
SCHEMBL6076454 0.77 MTNR1A (0.49) MTNR1AMTNR1BSLC2A1
SCHEMBL5335531 0.76 EGLN1 (0.46) MTNR1AMTNR1B
SCHEMBL5344998 0.75 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL5343898 0.74 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL5351881 0.74 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL8705200 0.74 MTNR1A (0.58) MTNR1AMTNR1BSLC2A1
SCHEMBL8873933 0.74 MTNR1A (0.58) MTNR1AMTNR1BSLC2A1
SCHEMBL6077487 0.74 MTNR1A (0.43) MTNR1AMTNR1BSLC2A1
SCHEMBL6077489 0.71 NCEH1 (0.45) MTNR1AMTNR1BSLC2A1

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
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO disclosed