SCHEMBL6162681

SCHEMBL6162681

CCC(Oc1ccccc1O)N1CCC(c2ccc(-c3ccc(F)cc3)cc2C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.37
KCNH2 Q12809 3/20 0.37
OPRM1 P35372 2/20 0.37
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 1/20 0.33
MGLL Q99685 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32
PABPC1 P11940 1/20 0.32
APLNR P35414 1/20 0.31
DRD2 P14416 1/20 0.31
KMT2A Q03164 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL6162591 0.79 OPRL1 (0.37) OPRL1KCNH2OPRM1MGLLPABPC1
SCHEMBL8220687 0.78 SLC18A3 (0.39) KCNH2
SCHEMBL6163067 0.71 MMP3 (0.44) OPRM1DRD2
SCHEMBL6162587 0.70 KDM4E (0.47) OPRL1KCNH2OPRM1KMT2A
SCHEMBL3892883 0.69 PAX8 (0.36) DRD2
SCHEMBL6162676 0.69 CHRNA7 (0.58) DRD2
SCHEMBL6159875 0.68 HTR2A (0.54) OPRL1KCNH2OPRM1DRD2KMT2A
SCHEMBL6158951 0.66 MEN1 (0.51) OPRL1KCNH2OPRM1MAPTDRD2
SCHEMBL6158959 0.66 MEN1 (0.51) OPRL1KCNH2OPRM1MAPTDRD2
SCHEMBL6159481 0.66 OPRL1 (0.44) OPRL1KCNH2OPRM1

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