SCHEMBL7737153

SCHEMBL7737153

O=C(O)COc1cccc2c1CCCN2CCSCC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.47
TBXA2R P21731 3/20 0.47
HRH3 Q9Y5N1 2/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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 0.87 PTGIR (0.46) PTGIRTBXA2RHRH3PRMT5WDR77
SCHEMBL7736474 0.86 PPARD (0.44) PTGIRHRH3PRMT5WDR77PPARG
SCHEMBL7737197 0.85 PTGIR (0.45) PTGIRHRH3PRMT5WDR77PPARG
SCHEMBL7736464 0.84 PTGIR (0.46) PTGIRTBXA2RHRH3
SCHEMBL7737206 0.83 PTGIR (0.48) PTGIRTBXA2RHRH3PRMT5WDR77
SCHEMBL7737231 0.82 PTGIR (0.56) PTGIRHRH3
SCHEMBL7730180 0.82 HRH3 (0.40) PTGIRTBXA2RHRH3PRMT5WDR77
SCHEMBL7737194 0.81 PTGIR (0.56) PTGIRTBXA2RALDH1A1
SCHEMBL7739673 0.81 GRM7 (0.44) PTGIRHRH3PRMT5WDR77ALDH1A1
SCHEMBL7958526 0.81 PTGIR (0.48) PTGIRTBXA2R

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