SCHEMBL8789934

SCHEMBL8789934

CCc1nc2ccc(C3=NNC(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.43
AGTR2 P50052 2/20 0.41
PPARG P37231 2/20 0.40

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
SCHEMBL8789831 0.94 PPARG (0.48) PPARG
SCHEMBL8789802 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL7302939 0.88 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9097368 0.83 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL7300056 0.82 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL8790413 0.81 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL7301596 0.81 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9095911 0.81 PPARG (0.51) PPARG
SCHEMBL8788943 0.81 PPARG (0.46) PPARG
SCHEMBL8790156 0.81 PPARG (0.47) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP disclosed