SCHEMBL7972081

SCHEMBL7972081

CCCSc1nc2c(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)ccc(C(=O)O)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.35
AGTR2 P50052 3/20 0.34

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
SCHEMBL844426 0.83 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL1775436 0.77 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9291476 0.75 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8866638 0.73 DHODH (0.43)
SCHEMBL7221466 0.72 BRS3 (0.41)
SCHEMBL8421730 0.70 AGTR1 (0.37) AGTR1
SCHEMBL3976472 0.70 ABCB11 (0.53) AGTR1AGTR2
SCHEMBL7972086 0.70 CMKLR1 (0.35)
SCHEMBL8866651 0.70 DHODH (0.44)
SCHEMBL3264622 0.69 AGTR1 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232334-B1 HAVE POTENT ANGIOTENSIN II ANTAGONISTIC ACTIVITY AND ANTIHYPERTENSIVE ACTIVITY, FOR TREATING CIRCULATORY SYSTEM DISEASES SUCH AS HYPERTENSIVE DISEASES, HEART DISEASES, STROKES, CEREBRAL APOPLEXY AND NEPHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-15 US claimed