SCHEMBL6162591

SCHEMBL6162591

Cc1cc(-c2ccc(F)cc2)ccc1C1CCN(C(C)c2ccccc2O)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.37
KCNH2 Q12809 2/20 0.37
OPRM1 P35372 2/20 0.37
RPS6KB1 P23443 1/20 0.36
PABPC1 P11940 1/20 0.34
MGLL Q99685 1/20 0.33
DRD2 P14416 1/20 0.33
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL6162681 0.79 OPRL1 (0.37) OPRL1KCNH2OPRM1PABPC1MGLL
SCHEMBL8219888 0.74 KCNH2 (0.41) KCNH2PABPC1
SCHEMBL6162587 0.72 KDM4E (0.47) OPRL1KCNH2OPRM1
SCHEMBL6159875 0.70 HTR2A (0.54) OPRL1KCNH2OPRM1DRD2
SCHEMBL6162676 0.68 CHRNA7 (0.58) DRD2
SCHEMBL3976528 0.68 GABRA1 (0.50) OPRL1OPRM1
SCHEMBL6160494 0.68 SLC6A2 (0.53)
SCHEMBL6158959 0.67 MEN1 (0.51) OPRL1KCNH2OPRM1DRD2
SCHEMBL6159481 0.67 OPRL1 (0.44) OPRL1KCNH2OPRM1
SCHEMBL6158951 0.67 MEN1 (0.51) OPRL1KCNH2OPRM1DRD2

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