SCHEMBL7730243

SCHEMBL7730243

O=C(O)COc1cccc2c1CCCN2CCCCN(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
PTGIR P43119 5/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PTGER1 P34995 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGDR Q13258 1/20 0.39

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
SCHEMBL7737683 0.97 HRH3 (0.43) HRH3PTGIRPPARGPPARAPTGER1
SCHEMBL7737680 0.93 PTGIR (0.46) HRH3PTGIRPPARGPPARAPTGER1
SCHEMBL7737089 0.85 PTGIR (0.43) HRH3PTGIRPTGER1PTGER3PTGDR
SCHEMBL7737314 0.82 PTGIR (0.44) HRH3PTGIRPTGER1PTGER3PTGDR
SCHEMBL7737197 0.81 PTGIR (0.45) HRH3PTGIRPPARGPPARA
SCHEMBL7736584 0.81 PTGIR (0.64) PTGIR
SCHEMBL7730077 0.79 PPARG (0.44) HRH3PTGIRPPARGPPARA
SCHEMBL7737082 0.78 HRH3 (0.46) HRH3PTGIR
SCHEMBL7737206 0.78 PTGIR (0.48) HRH3PTGIRPPARGPPARA
SCHEMBL7729962 0.78 PTGIR (0.65) PTGIR

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