SCHEMBL6158891

SCHEMBL6158891

COc1cc(C=CCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.49
MCHR1 Q99705 2/20 0.46
APP P05067 3/20 0.46
QDPR P09417 1/20 0.46
TRPV6 Q9H1D0 1/20 0.45
BCHE P06276 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL6158887 1.00 GAA (0.55) GAAMEN1KMT2ATSHRMCHR1
SCHEMBL6160199 0.82 HRH3 (0.49) GAAMEN1KMT2AMCHR1
SCHEMBL6160208 0.82 HRH3 (0.49) GAAMEN1KMT2AMCHR1
SCHEMBL6160195 0.82 BCHE (0.67) BCHEACHE
SCHEMBL6160205 0.82 BCHE (0.67) BCHEACHE
SCHEMBL6162831 0.79 CCR3 (0.53) MEN1KMT2ATSHR
SCHEMBL6162841 0.79 CCR3 (0.53) MEN1KMT2ATSHR
SCHEMBL6160743 0.79 GAA (0.47) GAAMEN1KMT2ATSHRAPP
SCHEMBL6160732 0.79 GAA (0.47) GAAMEN1KMT2ATSHRAPP
SCHEMBL6162033 0.78 ALDH1A1 (0.43) MEN1KMT2ATSHR

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