SCHEMBL10041893

SCHEMBL10041893

CCC(C)C[C@@H](CC)N1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL8738731 1.00 SLC6A4 (0.34) SLC6A4SLC6A3
SCHEMBL10041925 0.98 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL10041863 0.98 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL15997118 0.98 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL8738179 0.84 SLC6A4 (0.35) SLC6A4SLC6A3
SCHEMBL14157766 0.83 IDO1 (0.35) SLC6A3
SCHEMBL14157753 0.82 SLC6A4 (0.34) SLC6A4SLC6A3
SCHEMBL10041858 0.81 ALDH1A1 (0.35)
SCHEMBL14156851 0.81 ALDH1A1 (0.35)
SCHEMBL3307691 0.80 SLC6A4 (0.40) SLC6A4SLC6A3

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
EP-2468747-A1 2-Selenophene-4-quinolones as anticancer agents China Medical University (TW) 2012-06-27 EP disclosed