SCHEMBL6160585

SCHEMBL6160585

COc1ccc(-c2ccc(C3CCN(CC(=O)c4ccccc4)CC3)c(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.52
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM3 P20309 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KDR P35968 1/20 0.46
APP P05067 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 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
SCHEMBL6159875 0.87 HTR2A (0.54) GRIN2BKMT2A
SCHEMBL7725191 0.77 MCHR1 (0.51) ALDH1A1KDM4ELMNA
SCHEMBL7725197 0.77 MCHR1 (0.51) ALDH1A1KDM4ELMNA
SCHEMBL4874455 0.77 ALDH1A1 (0.76) GRIN2BALDH1A1KDM4ELMNAMAPT
SCHEMBL8216873 0.76 APP (0.55) GRIN2BALDH1A1KDM4ELMNACHRM3
SCHEMBL13999824 0.75 PROKR1 (0.51) KDM4EMEN1KMT2AAPP
SCHEMBL3890408 0.73 SIGMAR1 (0.62) GRIN2BALDH1A1LMNAKMT2A
SCHEMBL15033016 0.71 ALDH1A1 (0.68) GRIN2BALDH1A1KDM4ELMNAMEN1
SCHEMBL8592286 0.71 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ACHRM3
SCHEMBL6161142 0.70 SIGMAR1 (0.58) ALDH1A1LMNAKMT2AMAOAMAOB

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 3 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
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed