SCHEMBL8397131

SCHEMBL8397131

CCCCc1nc2cc(C)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.80
AGTR2 P50052 1/20 0.80
PPARG P37231 6/20 0.76

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
SCHEMBL8392240 0.93 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL8392912 0.92 AGTR1 (0.83) AGTR1AGTR2PPARG
SCHEMBL7048452 0.91 AGTR1 (0.82) AGTR1AGTR2PPARG
SCHEMBL8396130 0.91 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL8392835 0.91 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL8396736 0.91 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL8789150 0.90 PPARG (0.68) AGTR1AGTR2PPARG
SCHEMBL8396598 0.90 AGTR1 (0.79) AGTR1AGTR2PPARG
SCHEMBL7021447 0.89 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL8394742 0.89 AGTR1 (0.78) AGTR1AGTR2PPARG

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