SCHEMBL6160195

SCHEMBL6160195

COc1cc(/C=C/C(=O)N2CCC(c3ccc(Oc4ccccc4)cc3)CC2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.67
ACHE P22303 9/20 0.63
TRPV1 Q8NER1 3/20 0.61
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
PTGS2 P35354 1/20 0.58
CCR2 P41597 1/20 0.55

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
SCHEMBL6160205 1.00 BCHE (0.67) BCHEACHETRPV1ALDH1A1MAPT
SCHEMBL6158891 0.82 GAA (0.55) BCHEACHE
SCHEMBL6158887 0.82 GAA (0.55) BCHEACHE
SCHEMBL9029585 0.80 TRPV1 (0.72) BCHEACHETRPV1ALDH1A1
SCHEMBL9029586 0.80 TRPV1 (0.72) BCHEACHETRPV1ALDH1A1
SCHEMBL9041758 0.80 TRPV1 (0.76) BCHEACHETRPV1ALDH1A1
SCHEMBL9041751 0.80 TRPV1 (0.76) BCHEACHETRPV1ALDH1A1
SCHEMBL5029885 0.80 TRPV1 (0.87) BCHEACHETRPV1ALDH1A1
SCHEMBL2123698 0.80 TRPV1 (0.87) BCHEACHETRPV1ALDH1A1
SCHEMBL2123701 0.80 TRPV1 (0.87) BCHEACHETRPV1ALDH1A1

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