SCHEMBL5172261

SCHEMBL5172261

CNC(=O)c1cn(Cc2ccc3c(c2)CCN(C(=O)O)CC3C(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 9/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ SCD O00767 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL5171657 0.84 USP30 (0.36) KLKB1USP30SCDRIPK1RBP4
SCHEMBL5171051 0.81 HRH3 (0.35) BRD4
SCHEMBL5171317 0.81 FNTA (0.35) —
SCHEMBL5172012 0.79 HRH3 (0.40) —
SCHEMBL5171933 0.79 HRH3 (0.41) —
SCHEMBL5169161 0.78 PRMT5 (0.36) —
SCHEMBL5170173 0.77 ALDH1A1 (0.34) —
SCHEMBL5661745 0.76 ESR2 (0.43) SCDRBP4
SCHEMBL5194058 0.76 HRH3 (0.41) —
SCHEMBL5170182 0.76 HCRTR1 (0.32) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778643-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-05-02 — — EP disclosed
WO-2006018260-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H 3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-02-23 — — WO disclosed
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