SCHEMBL6161968

SCHEMBL6161968

Fc1ccc(OCCN2CC=C(c3ccc(Oc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.59
PPARA Q07869 8/20 0.59
LTA4H P09960 4/20 0.56
SIGMAR1 Q99720 2/20 0.55
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTR5A P47898 1/20 0.47

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
SCHEMBL11837347 0.85 PPARG (0.58) PPARGPPARALTA4HSIGMAR1S1PR1
Hydrochloric Acid SCHEMBL11838153 0.84 PPARG (0.57) PPARGPPARALTA4HSIGMAR1S1PR1
Hydrochloric Acid SCHEMBL11839971 0.83 PPARG (0.56) PPARGPPARALTA4HSIGMAR1S1PR1
SCHEMBL11839619 0.81 PPARG (0.56) PPARGPPARALTA4HSIGMAR1S1PR1
SCHEMBL7729504 0.78 SIGMAR1 (0.64) SIGMAR1MEN1KMT2A
SCHEMBL7729507 0.78 CYP2D6 (0.52) PPARGPPARASIGMAR1MEN1KMT2A
SCHEMBL11835059 0.78 PPARG (0.61) PPARGPPARASIGMAR1S1PR1S1PR3
SCHEMBL8725506 0.78 LTA4H (0.56) PPARGPPARALTA4HSIGMAR1S1PR1
Hydrochloric Acid SCHEMBL11843021 0.77 PPARG (0.60) PPARGPPARASIGMAR1S1PR1S1PR3
Hydrochloric Acid SCHEMBL11832653 0.76 PPARG (0.61) PPARGPPARASIGMAR1S1PR1S1PR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed