SCHEMBL8395183

SCHEMBL8395183

CCC(C)Cc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.57
AGTR2 P50052 2/20 0.55
AGTR1 P30556 1/20 0.55

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
SCHEMBL8396570 0.92 PPARG (0.57) PPARGAGTR2AGTR1
SCHEMBL8944380 0.91 PPARG (0.59) PPARG
SCHEMBL8394275 0.90 PPARG (0.49) PPARG
SCHEMBL8393697 0.89 PPARG (0.63) PPARGAGTR2AGTR1
SCHEMBL8394173 0.88 PPARG (0.61) PPARGAGTR2AGTR1
SCHEMBL8395737 0.87 PPARG (0.75) PPARGAGTR2AGTR1
SCHEMBL9042371 0.87 PPARG (0.74) PPARGAGTR2AGTR1
SCHEMBL9043218 0.87 PPARG (0.49) PPARGAGTR2AGTR1
SCHEMBL8391680 0.85 PPARG (0.52) PPARGAGTR2AGTR1
SCHEMBL8392990 0.85 AGTR1 (0.76) 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 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