SCHEMBL7737206

SCHEMBL7737206

O=C(O)COc1cccc2c1CCCN2CCCSC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.48
TBXA2R P21731 4/20 0.48
HRH3 Q9Y5N1 2/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7736514 0.94 PTGIR (0.46) PTGIRTBXA2RHRH3PRMT5WDR77
SCHEMBL7736464 0.91 PTGIR (0.46) PTGIRTBXA2RHRH3
SCHEMBL7958526 0.88 PTGIR (0.48) PTGIRTBXA2R
SCHEMBL7737197 0.86 PTGIR (0.45) PTGIRHRH3PPARGPPARAPRMT5
SCHEMBL7737153 0.83 PTGIR (0.47) PTGIRTBXA2RHRH3PPARGPPARA
SCHEMBL7737670 0.82 PTGIR (0.55) PTGIRTBXA2RALDH1A1
SCHEMBL7737368 0.81 PTGIR (0.46) PTGIRTBXA2RPPARG
SCHEMBL7737231 0.81 PTGIR (0.56) PTGIRHRH3
SCHEMBL7729838 0.81 PTGIR (0.47) PTGIRTBXA2RHRH3PPARGPPARA
SCHEMBL7739673 0.80 GRM7 (0.44) PTGIRHRH3PRMT5WDR77ALDH1A1

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