SCHEMBL9869141

SCHEMBL9869141

[CH2]C1(c2ccc(Cl)cc2)CCCO1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.38
SLC6A3 Q01959 8/20 0.38
ALDH1A1 P00352 2/20 0.36
DRD2 P14416 1/20 0.35
SLC6A2 P23975 2/20 0.35
HDAC4 P56524 1/20 0.35
HSD11B1 P28845 4/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL6304756 0.77
SCHEMBL9534713 0.75 SLC6A3 (0.44) SLC6A4SLC6A3SLC6A2HSD11B1KDM1A
SCHEMBL7385793 0.69 OPRM1 (0.41) SLC6A4SLC6A3ALDH1A1DRD2SLC6A2
SCHEMBL2108 0.69 SLC6A4 (0.44) SLC6A4SLC6A3DRD2SLC6A2HDAC4
SCHEMBL8116292 0.69 SLC6A3 (0.48) SLC6A4SLC6A3DRD2SLC6A2HDAC4
SCHEMBL2082383 0.68 ALDH1A1 (0.48) SLC6A4SLC6A3ALDH1A1SLC6A2MAOA
SCHEMBL7385753 0.68 ITGB1 (0.44) ALDH1A1HDAC4HSD11B1
SCHEMBL5430518 0.68 SLC6A4 (0.41) SLC6A4SLC6A3ALDH1A1DRD2SLC6A2
SCHEMBL3174097 0.68 DRD2 (0.43) SLC6A4SLC6A3DRD2SLC6A2HDAC4
SCHEMBL29259636 0.67 SLC6A3 (0.52) SLC6A4SLC6A3DRD2SLC6A2HDAC4

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
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed