SCHEMBL28806540

SCHEMBL28806540

CNC1Cc2ccc(C3CN(S(=O)(=O)CC=CC4CCC4)C3)cc2C1Cc1cccc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.32
TRPV1 Q8NER1 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL28804865 0.91 SLC6A9 (0.39) SLC6A9
SCHEMBL27911343 0.91 SLC6A9 (0.32) SLC6A9
SCHEMBL27911356 0.88 SLC6A9 (0.34) SLC6A9TRPV1
SCHEMBL27928946 0.86 SLC6A9 (0.34) SLC6A9HDAC8
SCHEMBL606347 0.85 SLC6A9 (0.35) SLC6A9TRPV1
SCHEMBL604999 0.85 SLC6A9 (0.39) SLC6A9TRPV1
SCHEMBL28806541 0.81 SLC6A9 (0.32) SLC6A9
SCHEMBL27911354 0.79 SLC6A9 (0.42) SLC6A9
SCHEMBL28806553 0.79 SLC6A9 (0.34) SLC6A9
SCHEMBL27911358 0.79 SLC6A9 (0.34) SLC6A9

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-103189337-A Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE GMBH & CO KG 2013-07-03 CN claimed