SCHEMBL7737231

SCHEMBL7737231

O=C(O)COc1cccc2c1CCCN2CCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.56
HRH3 Q9Y5N1 2/20 0.43
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42

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
SCHEMBL7948728 0.94 PTGIR (0.54) PTGIRSLC6A4SLC6A3
SCHEMBL7737197 0.84 PTGIR (0.45) PTGIRHRH3
SCHEMBL7736514 0.82 PTGIR (0.46) PTGIRHRH3
SCHEMBL7739673 0.82 GRM7 (0.44) PTGIRHRH3
SCHEMBL7739665 0.82 PTGIR (0.41) PTGIRHRH3
SCHEMBL7737153 0.82 PTGIR (0.47) PTGIRHRH3
SCHEMBL7737097 0.81 PTGIR (0.41) PTGIRHRH3
SCHEMBL7737206 0.81 PTGIR (0.48) PTGIRHRH3
SCHEMBL7739657 0.80 HRH3 (0.45) PTGIRHRH3SLC6A4SLC6A3
SCHEMBL7736944 0.80 PTGIR (0.60) PTGIRSLC6A4SLC6A3

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