SCHEMBL8396455

SCHEMBL8396455

CCCCc1nc2ccc(N(C)C)cc2n1Cc1ccc(-c2ccccc2C(=O)NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.57
AGTR1 P30556 1/20 0.57
PPARG P37231 2/20 0.54

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
SCHEMBL8393693 0.91 AGTR2 (0.60) AGTR2AGTR1PPARG
SCHEMBL8396933 0.90 PPARG (0.60) AGTR2AGTR1PPARG
SCHEMBL8394797 0.89 AGTR1 (0.53) AGTR2AGTR1PPARG
SCHEMBL9043880 0.89 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL8395892 0.89 AGTR1 (0.58) AGTR2AGTR1PPARG
SCHEMBL8396913 0.88 AGTR2 (0.69) AGTR2AGTR1
SCHEMBL8391865 0.88 PPARG (0.61) AGTR2AGTR1PPARG
Trifluoroacetic Acid SCHEMBL8394597 0.87 AGTR1 (0.69) AGTR2AGTR1PPARG
SCHEMBL8391119 0.87 AGTR1 (0.54) AGTR2AGTR1
SCHEMBL8393013 0.86 AGTR1 (0.59) AGTR2AGTR1

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