SCHEMBL8464797

SCHEMBL8464797

CCOC(=O)c1ccccc1-c1cc(-c2ccncc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.60
MAPK14 Q16539 3/20 0.60

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
SCHEMBL8464794 0.84 GCGR (0.82) GCGRMAPK14
SCHEMBL8464587 0.83 GCGR (0.58) GCGRMAPK14
SCHEMBL4183471 0.82 GCGR (0.78) GCGRMAPK14
SCHEMBL7642688 0.82 TSHR (0.61)
SCHEMBL4182065 0.77 GCGR (0.86) GCGRMAPK14
SCHEMBL4194651 0.76 CDC7 (0.71) GCGRMAPK14
SCHEMBL396552 0.76 TSHR (0.69)
SCHEMBL4186084 0.76 CDC7 (0.68) GCGRMAPK14
Bicarbonate SCHEMBL27449726 0.75 TSHR (0.67)
SCHEMBL21056853 0.74 ALDH1A1 (0.54)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871444-A4 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-01-13 EP disclosed
EP-0871444-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-10-21 EP disclosed
WO-1997005878-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO disclosed