SCHEMBL5169168

SCHEMBL5169168

CNC(=O)c1ccc(Cc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ CXCR3 P49682 6/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.35
▸ SLC18A2 Q05940 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ BAZ2B Q9UIF8 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL5194064 0.88 HRH3 (0.40) HRH3
SCHEMBL5171053 0.88 HRH3 (0.35) CXCR3HRH3NAMPT
SCHEMBL5169161 0.85 PRMT5 (0.36) PRMT5WDR77CXCR3HRH3PRKAB2
SCHEMBL5171675 0.84 PANK3 (0.39) PRMT5WDR77RORC
SCHEMBL6223629 0.84 HRH3 (0.54) HRH3
SCHEMBL5170769 0.84 SLC18A2 (0.33) SLC18A2CHRM2GHSR
SCHEMBL5183241 0.82 HRH3 (0.33) HRH3SLC18A2
SCHEMBL5170245 0.82 HRH3 (0.35) HRH3NAMPT
SCHEMBL5173434 0.82 KDM4C (0.35) SLC18A2
SCHEMBL5183100 0.82 ACACB (0.32) NAMPT

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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