SCHEMBL14023917

SCHEMBL14023917

C[S+]([O-])c1ccc(-c2ccc(C[C@H](N)CF)cc2)cn1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.31

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
SCHEMBL14023976 0.79 WNT3A (0.38) SLC6A4
SCHEMBL14024025 0.76
SCHEMBL14025121 0.75 MAPT (0.40) SLC6A4
SCHEMBL23130408 0.71 NPC1 (0.40)
SCHEMBL4750423 0.70 CYP2A6 (0.58)
SCHEMBL14024057 0.70 CYP2A6 (0.58)
SCHEMBL19062888 0.69 HRH3 (0.56) SLC6A4
SCHEMBL17000169 0.68 KDM4E (0.33)
SCHEMBL19063001 0.68 SLC6A4 (0.41) SLC6A4
SCHEMBL31407290 0.68 SLC6A4 (0.41) SLC6A4

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-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed