SCHEMBL7729962

SCHEMBL7729962

O=C(O)COc1cccc2c1OCCN2CCCN(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.65
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR7 P34969 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7736584 0.97 PTGIR (0.64) PTGIRCYSLTR2CYSLTR1HTR1ASLC6A4
SCHEMBL7737336 0.94 PTGIR (0.70) PTGIRCYSLTR2CYSLTR1HTR1ASLC6A4
SCHEMBL7736609 0.86 PTGIR (0.61) PTGIRCYSLTR2CYSLTR1HTR1ASLC6A4
SCHEMBL7736442 0.84 PTGIR (0.62) PTGIRCYSLTR2CYSLTR1HTR1ASLC6A4
SCHEMBL7736507 0.82 PTGIR (0.63) PTGIRCYSLTR2CYSLTR1HTR1ASLC6A4
SCHEMBL7729950 0.82 PTGIR (0.58) PTGIRCYSLTR2CYSLTR1HTR1ASLC6A4
SCHEMBL7737683 0.80 HRH3 (0.43) PTGIRALDH1A1POLB
SCHEMBL7730030 0.80 PTGIR (0.56) PTGIRCYSLTR2CYSLTR1HTR1ASLC6A4
SCHEMBL7737670 0.79 PTGIR (0.55) PTGIRCYSLTR2CYSLTR1HTR1ASLC6A4
SCHEMBL7739724 0.78 PTGIR (0.54) PTGIRCYSLTR2CYSLTR1HTR1ASLC6A4

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