SCHEMBL8325951

SCHEMBL8325951

Oc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.74
MAPK14 Q16539 2/20 0.74

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
SCHEMBL6586611 0.87 GCGR (0.86) GCGRMAPK14
SCHEMBL8321544 0.86 GCGR (0.67) GCGRMAPK14
SCHEMBL8322278 0.85 GCGR (0.77) GCGRMAPK14
SCHEMBL8326739 0.85 GCGR (0.81) GCGRMAPK14
SCHEMBL2662940 0.84 GCGR (0.97) GCGRMAPK14
SCHEMBL14040739 0.83 GCGR (0.71) GCGRMAPK14
SCHEMBL4793206 0.80 GCGR (0.65) GCGRMAPK14
SCHEMBL8318877 0.80 GCGR (0.66) GCGRMAPK14
SCHEMBL8467312 0.80 GCGR (0.80) GCGRMAPK14
SCHEMBL2646773 0.78 GCGR (1.00) GCGRMAPK14

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 5 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 claimed
EP-0871444-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-10-21 EP claimed
WO-1997005878-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO claimed
US-5837719-A USEFUL FOR TREATING CYTOKINE MEDIATED DISEASES, INFLAMMATION,SHOCK, ARTHRITIS, RESPIRATORY DISORDERS, THROMBOSIS, VIRAL INFECTION, GASTROINTESTINAL DISORDERS MERCK & CO., INC. (US) 1998-11-17 US 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