SCHEMBL6159875

SCHEMBL6159875

Cc1cc(-c2ccc(F)cc2)ccc1C1CCN(CC(=O)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.54
HTR2C P28335 3/20 0.54
KCNH2 Q12809 3/20 0.54
GRIN2B Q13224 3/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 2/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.44
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
HTR1A P08908 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL6160585 0.87 GRIN2B (0.52) GRIN2BKMT2A
SCHEMBL6159469 0.80 ALDH1A1 (0.51) HTR2AHTR2CKCNH2GRIN2BDRD2
SCHEMBL6162587 0.78 KDM4E (0.47) KCNH2GRIN2BKMT2AOPRM1OPRL1
SCHEMBL6158951 0.76 MEN1 (0.51) HTR2AHTR2CKCNH2DRD2SLC6A4
SCHEMBL6159481 0.76 OPRL1 (0.44) KCNH2DRD4OPRM1OPRL1
SCHEMBL6158959 0.76 MEN1 (0.51) HTR2AHTR2CKCNH2DRD2SLC6A4
SCHEMBL6160819 0.75 DRD2 (0.55) HTR2CKCNH2DRD2DRD4SLC6A4
SCHEMBL3890408 0.75 SIGMAR1 (0.62) HTR2AHTR2CKCNH2GRIN2BDRD2
SCHEMBL3436615 0.74 OPRL1 (0.50) KCNH2DRD4OPRM1OPRL1
SCHEMBL8216077 0.74 DRD2 (0.59) HTR2AHTR2CKCNH2DRD2SLC6A4

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