SCHEMBL28148653

SCHEMBL28148653

COC1CCC[C](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.42
SLC6A4 P31645 9/20 0.42
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
SLC6A2 P23975 3/20 0.40
AHR P35869 1/20 0.38
MAPK10 P53779 1/20 0.37

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
SCHEMBL15855977 0.84 AHR (0.46) SLC6A3SLC6A4ACACBACACASLC6A2
SCHEMBL21700367 0.81 SLC6A3 (0.46) SLC6A3SLC6A4ACACBACACASLC6A2
SCHEMBL11851424 0.76 NPC1 (0.38) SLC6A3
SCHEMBL6472818 0.72 AHR (0.59) SLC6A3SLC6A4SLC6A2AHR
SCHEMBL4808905 0.70 AHR (0.56) SLC6A3SLC6A2AHR
SCHEMBL9870874 0.68 AHR (0.65) SLC6A3SLC6A2AHR
SCHEMBL28294894 0.67
SCHEMBL6075718 0.65 AHR (0.48) SLC6A3SLC6A4SLC6A2AHR
SCHEMBL21700368 0.65 AHR (0.48) SLC6A3SLC6A4SLC6A2AHR
SCHEMBL21700369 0.64 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101394847-B Cycloalkylamines as monoamine reuptake inhibitors 塞普拉柯公司 2017-05-24 CN disclosed