SCHEMBL28845080

SCHEMBL28845080

Clc1ccc(C2(CCN3CCNCC3)CCCCC2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.59
SLC6A2 P23975 16/20 0.59
SLC6A3 Q01959 15/20 0.59
CYP2D6 P10635 1/20 0.53
SIGMAR1 Q99720 2/20 0.51

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
SCHEMBL3466330 0.78 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6SIGMAR1
SCHEMBL3466336 0.78 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6SIGMAR1
SCHEMBL3517292 0.75 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL3521434 0.75 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL8296155 0.74 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL5085593 0.74 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL15043689 0.74 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3
SCHEMBL5085612 0.74 SLC6A3 (0.76) SLC6A4SLC6A2SLC6A3
SCHEMBL3522145 0.73 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL9027256 0.73 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3CYP2D6

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 claimed