SCHEMBL1744082

SCHEMBL1744082

CC(=O)NCc1ccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc1.Cc1nc(-c2ccc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 1/20 0.42
EZH2 Q15910 9/20 0.40
EZH1 Q92800 3/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
AADAT Q8N5Z0 1/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL1742424 0.88 SMO (0.52) SMOTLR9TLR8TLR7EZH2
SCHEMBL1742928 0.86 TLR9 (0.49) SMOTLR9TLR8TLR7
SCHEMBL1743026 0.78 SMO (0.51) SMOTLR9TLR8TLR7EZH2
SCHEMBL23291895 0.78 PLK1 (0.57) CTSLCTSBCTSSCTSKLMNA
SCHEMBL12159826 0.78 HRH3 (0.43) SMOTLR9TLR8TLR7EZH2
SCHEMBL1743218 0.77 HRH3 (0.44) SMOTLR9TLR8TLR7EZH2
SCHEMBL1743006 0.77 ADAMTS4 (0.43) SMOACACB
SCHEMBL1742562 0.76 SMO (0.46) SMOMAPT
SCHEMBL1742648 0.76 HPGD (0.44) SMOTLR9TLR8TLR7EZH2
Hydrochloric Acid SCHEMBL3045179 0.75 SMO (0.45) SMOMAPT

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-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed