SCHEMBL8396181

SCHEMBL8396181

CC(C)Cc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.76
AGTR1 P30556 1/20 0.73
AGTR2 P50052 1/20 0.73

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
SCHEMBL9042371 0.91 PPARG (0.74) PPARGAGTR1AGTR2
SCHEMBL8393405 0.88 PPARG (0.84) PPARGAGTR1AGTR2
SCHEMBL8396012 0.88 PPARG (0.80) PPARGAGTR1AGTR2
SCHEMBL8396570 0.86 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL8396958 0.86 PPARG (1.00) PPARGAGTR1AGTR2
SCHEMBL8393379 0.85 PPARG (0.76) PPARGAGTR1AGTR2
SCHEMBL8392354 0.85 PPARG (0.76) PPARGAGTR1AGTR2
SCHEMBL8395925 0.85 PPARG (0.69) PPARGAGTR1AGTR2
SCHEMBL9041755 0.85 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL8392419 0.84 PPARG (0.74) PPARGAGTR1AGTR2

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
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed