SCHEMBL9044284

SCHEMBL9044284

CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2sc(CC)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.43
GNRHR P30968 3/20 0.41
P2RX3 P56373 1/20 0.41

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
SCHEMBL9044761 0.93 AGTR1 (0.42) AGTR1
SCHEMBL9044702 0.91 AGTR1 (0.46) AGTR1
SCHEMBL9049056 0.90 AGTR1 (0.45) AGTR1
SCHEMBL9049058 0.89 AGTR1 (0.43) AGTR1
SCHEMBL9045881 0.89 AGTR1 (0.42) AGTR1
SCHEMBL9047126 0.87 AGTR1 (0.44) AGTR1
SCHEMBL9320963 0.86 AGTR1 (0.44) AGTR1
SCHEMBL7014863 0.86 AGTR1 (0.43) AGTR1GNRHRP2RX3
SCHEMBL9319312 0.86 AGTR1 (0.42) AGTR1
SCHEMBL9046178 0.84 GNRHR (0.47) GNRHRP2RX3

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 7 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 claimed
EP-0502786-B1 Process for the preparation of aryl(or heteroaryl)-piperazin-1-butyl-azole derivatives ESTEVE LABOR DR (ES) 1996-04-24 EP claimed
EP-0502786-A1 Process for the preparation of aryl(or heteroaryl)-piperazin-1-butyl-azole derivatives LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-09-09 EP claimed
EP-0443568-A1 Fused thiophene derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP claimed
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