SCHEMBL9048490

SCHEMBL9048490

CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2sc(CC)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGT P01019 2/20 0.47
AGTR1 P30556 2/20 0.43
AGTR2 P50052 1/20 0.43
GNRHR P30968 13/20 0.42
P2RX3 P56373 1/20 0.40

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
SCHEMBL9046178 0.83 GNRHR (0.47) GNRHRP2RX3
SCHEMBL9044284 0.82 AGTR1 (0.43) AGTR1GNRHRP2RX3
SCHEMBL9046514 0.82 GNRHR (0.44) AGTAGTR1AGTR2GNRHR
SCHEMBL9047816 0.80 CRHBP (0.47) AGTR1GNRHRP2RX3
SCHEMBL7012415 0.80 AGT (0.43) AGTAGTR1AGTR2
SCHEMBL7015437 0.80 AGTR1 (0.48) AGTAGTR1AGTR2
SCHEMBL7014863 0.79 AGTR1 (0.43) AGTR1GNRHRP2RX3
SCHEMBL7010779 0.79 AGTR1 (0.41) AGTR1GNRHRP2RX3
SCHEMBL9402028 0.77 AGT (0.58) AGTAGTR1AGTR2
SCHEMBL9044761 0.75 AGTR1 (0.42) AGTR1

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
EP-0443568-B1 Fused thiophene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-12 EP disclosed
US-5284661-A 4-Oxo-7-(biphenyl-4-yl)thieno(2,3-b)pyridines as antagonist of angiotensin II; hypertensive agents, cardiovascular disorders and strokes TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-02-08 US disclosed
EP-0443568-A1 Fused thiophene derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP disclosed