SCHEMBL7736944

SCHEMBL7736944

O=C(O)COc1cccc2c1OCCN2CCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.60
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 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
SCHEMBL7737672 0.86 PTGIR (0.44) PTGIRSLC6A4SLC6A3
SCHEMBL7729950 0.84 PTGIR (0.58) PTGIRSLC6A4CYSLTR2CYSLTR1
SCHEMBL7737347 0.83 PTGIR (0.57) PTGIRCYSLTR2CYSLTR1
SCHEMBL7737108 0.83 PTGIR (0.57) PTGIRCYSLTR2CYSLTR1
SCHEMBL7736507 0.82 PTGIR (0.63) PTGIRSLC6A4CYSLTR2CYSLTR1
SCHEMBL7948728 0.82 PTGIR (0.54) PTGIRSLC6A4SLC6A3
SCHEMBL7736531 0.82 PTGIR (0.56) PTGIRCYSLTR2CYSLTR1
SCHEMBL7737194 0.82 PTGIR (0.56) PTGIRCYSLTR2CYSLTR1
SCHEMBL7736451 0.82 SIGMAR1 (0.43) SLC6A4SLC6A3
SCHEMBL7737670 0.81 PTGIR (0.55) PTGIRSLC6A4CYSLTR2CYSLTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed