SCHEMBL7948728

SCHEMBL7948728

O=C(O)COc1cccc2c1CCN2CCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.54
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
HTR6 P50406 1/20 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
SCHEMBL7737231 0.94 PTGIR (0.56) PTGIRSLC6A4SLC6A3
SCHEMBL7956578 0.86 PTGIR (0.42) PTGIRHTR6
SCHEMBL7956698 0.85 PTGIR (0.41) PTGIRHTR6
SCHEMBL7948766 0.83 SIGMAR1 (0.47)
SCHEMBL7736944 0.82 PTGIR (0.60) PTGIRSLC6A4SLC6A3
SCHEMBL7958526 0.82 PTGIR (0.48) PTGIRHTR6
SCHEMBL7962770 0.81 MEN1 (0.43) PTGIRHTR6
SCHEMBL7960362 0.80 SIGMAR1 (0.46) SLC6A4SLC6A3
SCHEMBL7737197 0.77 PTGIR (0.45) PTGIR
SCHEMBL7739673 0.76 GRM7 (0.44) PTGIRHTR6

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
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed