SCHEMBL7737079

SCHEMBL7737079

O=C(O)COc1cccc2c1CCCN2CCSC(c1ccccc1)(c1ccccc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.47
TBXA2R P21731 2/20 0.47
PPARD Q03181 9/20 0.41
HRH3 Q9Y5N1 2/20 0.39
PPARA Q07869 7/20 0.38
PPARG P37231 5/20 0.37
S1PR5 Q9H228 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 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
SCHEMBL7737711 0.87 HRH3 (0.41) PTGIRTBXA2RPPARDHRH3PPARA
SCHEMBL7730171 0.87 PTGIR (0.48) PTGIRTBXA2RPPARDHRH3PPARA
SCHEMBL7730044 0.85 PTGIR (0.48) PTGIRTBXA2RPPARDHRH3PPARA
SCHEMBL7730180 0.82 HRH3 (0.40) PTGIRTBXA2RPPARDHRH3PPARA
SCHEMBL7736488 0.82 PTGIR (0.54) PTGIRTBXA2RPPARDPPARAPPARG
SCHEMBL7729838 0.82 PTGIR (0.47) PTGIRTBXA2RPPARDHRH3PPARA
SCHEMBL7736474 0.80 PPARD (0.44) PTGIRPPARDHRH3PPARAPPARG
SCHEMBL7736514 0.79 PTGIR (0.46) PTGIRTBXA2RHRH3ALDH1A1PRMT5
SCHEMBL7739657 0.79 HRH3 (0.45) PTGIRTBXA2RHRH3PPARAPPARG
SCHEMBL7730077 0.78 PPARG (0.44) PTGIRHRH3PPARAPPARGALDH1A1

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