SCHEMBL5171053

SCHEMBL5171053

CNC(=O)c1cnc(Cc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ CXCR3 P49682 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ BRD4 O60885 3/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ XIAP P98170 1/20 0.31
▸ BIRC2 Q13490 1/20 0.31
▸ SCD O00767 1/20 0.30
▸ KDM4C Q9H3R0 2/20 0.30
▸ FNTA P49354 1/20 0.30
▸ FNTB P49356 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
SCHEMBL5170245 0.92 HRH3 (0.35) HRH3NAMPTBRD4PARP1KDM4C
SCHEMBL5183241 0.91 HRH3 (0.33) HRH3XIAPBIRC2KDM4C
SCHEMBL5170766 0.90 SMO (0.34) HRH3KDM4C
SCHEMBL5171939 0.88 HRH3 (0.40) HRH3HRH1
SCHEMBL5169168 0.88 PRMT5 (0.37) HRH3CXCR3NAMPT
SCHEMBL5170769 0.87 SLC18A2 (0.33) XIAPBIRC2KDM4C
SCHEMBL5183100 0.85 ACACB (0.32) NAMPTXIAPBIRC2SCD
SCHEMBL5171051 0.85 HRH3 (0.35) HRH3HRH1BRD4PARP1PARP2
SCHEMBL5173434 0.84 KDM4C (0.35) PARP1PARP2KDM4C
SCHEMBL5171657 0.83 USP30 (0.36) BRD4SCD

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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