SCHEMBL7972086

SCHEMBL7972086

CCCSC(c1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc2cccc(C(=O)O)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 1/20 0.35

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
SCHEMBL844427 0.84 ABCB11 (0.38)
SCHEMBL9638150 0.83 ABCB11 (0.37)
SCHEMBL8836872 0.76 BRS3 (0.33)
SCHEMBL9291479 0.76 PARP1 (0.35)
SCHEMBL7221466 0.75 BRS3 (0.41)
SCHEMBL9638146 0.73 ABCB11 (0.37)
SCHEMBL3976472 0.70 ABCB11 (0.53)
SCHEMBL7972081 0.70 AGTR1 (0.35)
SCHEMBL9638155 0.70 DHODH (0.43) CMKLR1
SCHEMBL9193754 0.69 PPARG (0.60)

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