SCHEMBL8395349

SCHEMBL8395349

CCCCc1nc2ccc(C(N)=O)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.65
AGTR1 P30556 1/20 0.62
AGTR2 P50052 1/20 0.62

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
SCHEMBL8393936 0.94 PPARG (0.65) PPARGAGTR1AGTR2
SCHEMBL8393504 0.93 AGTR1 (0.65) PPARGAGTR1AGTR2
SCHEMBL8392403 0.91 AGTR1 (0.59) PPARGAGTR1AGTR2
SCHEMBL8392782 0.91 AGTR1 (0.64) PPARGAGTR1AGTR2
SCHEMBL8392105 0.90 AGTR1 (0.61) PPARGAGTR1AGTR2
SCHEMBL8392990 0.90 AGTR1 (0.76) PPARGAGTR1AGTR2
SCHEMBL8394670 0.89 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL8394107 0.89 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL8392670 0.89 AGTR1 (0.62) PPARGAGTR1AGTR2
SCHEMBL8392066 0.88 AGTR1 (0.55) 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 2 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