SCHEMBL8944914

SCHEMBL8944914

CCCCc1nc2c(OCc3ccccc3)ccc(C)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.59
AGTR1 P30556 2/20 0.59
PPARG P37231 1/20 0.57

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
SCHEMBL8395276 0.93 PPARG (0.59) AGTR2AGTR1PPARG
SCHEMBL8396532 0.91 AGTR2 (0.48) AGTR2AGTR1
SCHEMBL9042835 0.89 AGTR2 (0.45) AGTR2AGTR1
Trifluoroacetic Acid SCHEMBL8944378 0.89 PPARG (0.55) AGTR2AGTR1PPARG
SCHEMBL8394862 0.86 AGTR2 (0.65) AGTR2AGTR1PPARG
SCHEMBL8392002 0.86 PPARG (0.60) AGTR2AGTR1PPARG
SCHEMBL8391535 0.85 PPARG (0.62) AGTR2AGTR1PPARG
SCHEMBL9040465 0.85 TLR7 (0.44) AGTR2AGTR1
SCHEMBL9872309 0.85 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL8391844 0.84 PPARG (0.49) AGTR2AGTR1PPARG

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
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