SCHEMBL2023

SCHEMBL2023

CCCC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
SLC6A4 P31645 12/20 0.47
SLC6A3 Q01959 12/20 0.47
SLC6A2 P23975 5/20 0.47
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
CCR2 P41597 1/20 0.43

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
SCHEMBL3517260 0.84 CHRM2 (0.54) OPRM1SLC6A4SLC6A3SLC6A2CHRM2
SCHEMBL1758 0.83 HDAC4 (0.51) OPRM1CHRM2CHRM1
SCHEMBL7385128 0.82 SLC6A3 (0.47) OPRM1SLC6A4SLC6A3SLC6A2CHRM2
SCHEMBL7047849 0.82 SLC6A3 (0.47) OPRM1SLC6A4SLC6A3SLC6A2CHRM2
SCHEMBL16506943 0.82 SLC6A3 (0.55) OPRM1SLC6A4SLC6A3SLC6A2CHRM2
SCHEMBL1350 0.80 SLC6A4 (0.49) OPRM1SLC6A4SLC6A3SLC6A2CHRM2
SCHEMBL16521044 0.79 SLC6A3 (0.47) OPRM1SLC6A4SLC6A3SLC6A2CHRM2
SCHEMBL7366120 0.79 CHRM2 (0.49) OPRM1SLC6A4SLC6A3SLC6A2CHRM2
SCHEMBL13070452 0.78 OPRM1 (0.48) OPRM1
SCHEMBL16507659 0.78 SLC6A4 (0.48) OPRM1SLC6A4SLC6A3SLC6A2CHRM2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4814352-A ANTIDEPRESSANT CYCLOBUTYL BENZYLAMINE THE BOOTS COMPANY PLC (GB) 1989-03-21 US disclosed
US-4806570-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1989-02-21 US disclosed
US-4767790-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1988-08-30 US disclosed
US-4746680-A ANTIDEPRESSANTS THE BOOTS COMPANY P.L.C. (GB) 1988-05-24 US disclosed
US-4629727-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1986-12-16 US disclosed
EP-0111994-B1 (1-ARYLCYCLOBUTYL) ALKYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS THERAPEUTIC AGENTS The Boots Company PLC (GB) 1986-02-26 EP disclosed
US-4522828-A CYCLOBUTYLALKYLAMINE COMPOUNDS, ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1985-06-11 US disclosed
EP-0111994-A1 (1-Arylcyclobutyl) alkylamine derivatives, their preparation and their use as therapeutic agents The Boots Company PLC (GB) 1984-06-27 EP disclosed