SCHEMBL8392002

SCHEMBL8392002

CCCCc1nc2c(C)ccc(OCCO)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.60
AGTR2 P50052 3/20 0.60
AGTR1 P30556 2/20 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
SCHEMBL8394844 0.94 PPARG (0.58) PPARGAGTR2AGTR1
Trifluoroacetic Acid SCHEMBL8391817 0.93 PPARG (0.56) PPARGAGTR2AGTR1
SCHEMBL8395276 0.92 PPARG (0.59) PPARGAGTR2AGTR1
SCHEMBL8391535 0.91 PPARG (0.62) PPARGAGTR2AGTR1
Water SCHEMBL8395447 0.91 PPARG (0.55) PPARGAGTR2AGTR1
SCHEMBL8394309 0.90 PPARG (0.60) PPARGAGTR2AGTR1
SCHEMBL9045043 0.89 PPARG (0.47) PPARGAGTR2AGTR1
SCHEMBL7313371 0.89 PPARG (0.52) PPARGAGTR2AGTR1
SCHEMBL8396479 0.88 PPARG (0.59) PPARGAGTR2AGTR1
Trifluoroacetic Acid SCHEMBL8944378 0.88 PPARG (0.55) PPARGAGTR2AGTR1

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