SCHEMBL9047816

SCHEMBL9047816

CCOC(=O)c1cn(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2)c2sc(CC)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
GNRHR P30968 14/20 0.43
ACHE P22303 1/20 0.43
P2RX3 P56373 1/20 0.42
AGTR1 P30556 2/20 0.39
F2RL3 Q96RI0 1/20 0.39

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 0.90 GNRHR (0.47) GNRHRP2RX3F2RL3
SCHEMBL9044284 0.81 AGTR1 (0.43) GNRHRP2RX3AGTR1
SCHEMBL7014863 0.81 AGTR1 (0.43) GNRHRP2RX3AGTR1
SCHEMBL7010779 0.81 AGTR1 (0.41) GNRHRP2RX3AGTR1
SCHEMBL9048490 0.80 AGT (0.47) GNRHRP2RX3AGTR1
SCHEMBL9199586 0.76 ACHE (0.52) CRHBPCRHR2ACHEAGTR1
SCHEMBL9044702 0.70 AGTR1 (0.46) AGTR1
SCHEMBL9045881 0.70 AGTR1 (0.42) AGTR1
SCHEMBL9049056 0.70 AGTR1 (0.45) AGTR1
SCHEMBL9427847 0.69 ACHE (0.48) CRHBPCRHR2ACHE

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