SCHEMBL17675759

SCHEMBL17675759

Cn1cnc(S(=O)(=O)NCCOc2cc3c(cc2F)CCCNC3Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.53
KCNH2 Q12809 1/20 0.53
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL13827227 0.91 SLC6A9 (0.53) SLC6A9KCNH2KMT2ALMNAMEN1
SCHEMBL13737074 0.87 SLC6A9 (0.69) SLC6A9KCNH2KMT2ALMNAMEN1
SCHEMBL13827334 0.86 SLC6A9 (0.51) SLC6A9KCNH2KMT2ALMNAMEN1
SCHEMBL13827488 0.84 KDM1A (0.42) SLC6A9KCNH2GAABCHEACHE
SCHEMBL13827231 0.82 SLC6A9 (0.59) SLC6A9KCNH2KMT2ALMNAMEN1
SCHEMBL13827487 0.82 SLC6A9 (0.41) SLC6A9KCNH2GAABCHEACHE
SCHEMBL13736345 0.81 SLC6A9 (0.49) SLC6A9KCNH2KMT2ALMNAMEN1
SCHEMBL13736151 0.81 SLC6A9 (0.48) SLC6A9KCNH2GAABCHEACHE
SCHEMBL13827329 0.81 SLC6A9 (0.67) SLC6A9KCNH2KMT2ALMNAMEN1
SCHEMBL603332 0.81 SLC6A9 (0.67) SLC6A9KCNH2KMT2ALMNAMEN1

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-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed