SCHEMBL8917683

SCHEMBL8917683

CC(Br)OC(C)C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.35

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
SCHEMBL270189 0.81 L3MBTL1 (0.35) SLC6A3
SCHEMBL963750 0.77
SCHEMBL8928237 0.76 SLC6A3 (0.40) SLC6A3
SCHEMBL24244318 0.74
SCHEMBL8309067 0.73
SCHEMBL943444 0.72
SCHEMBL22414058 0.72 SLC6A3 (0.38) SLC6A3
SCHEMBL10323326 0.72
SCHEMBL24351608 0.72 SLC6A3 (0.38) SLC6A3
SCHEMBL12384257 0.72

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
US-5618938-A Process for preparing stereo isomers of neurokinin receptor antagonists SANOFI (FR) 1997-04-08 US disclosed