SCHEMBL8419087

SCHEMBL8419087

CNc1nc2c(C)ccc(C(=O)O)c2n1-c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
AGTR1 P30556 2/20 0.31
AGTR2 P50052 2/20 0.31

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
SCHEMBL8417941 0.91 PPARG (0.35) AGTR1AGTR2
SCHEMBL8417984 0.89 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8421429 0.88 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8635491 0.86 DHODH (0.35) DHODHAGTR1AGTR2
SCHEMBL8419217 0.86 AGTR1 (0.33) DHODHAGTR1
SCHEMBL8421698 0.84 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8418024 0.83 ALDH1A1 (0.36) AGTR1AGTR2
SCHEMBL8422151 0.83 DHODH (0.35) DHODHAGTR1AGTR2
SCHEMBL8419127 0.83 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8519654 0.83 AGTR1 (0.33) AGTR1AGTR2

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-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed