SCHEMBL6159481

SCHEMBL6159481

Cc1cc(-c2ccc(F)cc2)ccc1C1CCN(CC2(c3ccccc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.44
OPRM1 P35372 2/20 0.44
KCNH2 Q12809 2/20 0.44
HSD11B1 P28845 1/20 0.38
PARK7 Q99497 1/20 0.37
TACR1 P25103 4/20 0.36
CACNA1G O43497 3/20 0.35
DRD4 P21917 1/20 0.34

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
SCHEMBL6159547 0.84 PARK7 (0.36) OPRL1OPRM1KCNH2PARK7CACNA1G
SCHEMBL6162560 0.80 DRD2 (0.45) HSD11B1PARK7DRD4
SCHEMBL6158959 0.76 MEN1 (0.51) OPRL1OPRM1KCNH2CACNA1G
SCHEMBL6162587 0.76 KDM4E (0.47) OPRL1OPRM1KCNH2
SCHEMBL6158951 0.76 MEN1 (0.51) OPRL1OPRM1KCNH2CACNA1G
SCHEMBL6159875 0.76 HTR2A (0.54) OPRL1OPRM1KCNH2DRD4
SCHEMBL8211064 0.76 CACNA1G (0.39) CACNA1G
SCHEMBL6160819 0.75 DRD2 (0.55) OPRL1OPRM1KCNH2DRD4
SCHEMBL13898484 0.75 SIGMAR1 (0.47)
SCHEMBL8220653 0.74 SLC18A3 (0.43) TACR1CACNA1G

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