SCHEMBL5171939

SCHEMBL5171939

CNC(=O)c1cnc(OCc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ BACE1 P56817 2/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ GHSR Q92847 6/20 0.32
▸ GRIN1 Q05586 1/20 0.31
▸ S1PR1 P21453 3/20 0.31
▸ GABRA1 P14867 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
SCHEMBL5171948 0.91 SLC18A2 (0.33) HRH3HDAC3HDAC1HDAC2GRIN2B
SCHEMBL5194064 0.89 HRH3 (0.40) HRH3
SCHEMBL5172025 0.89 HRH3 (0.39) HRH3GRIN2BGHSRGRIN1S1PR1
SCHEMBL5171053 0.88 HRH3 (0.35) HRH3HRH1
SCHEMBL5171933 0.85 HRH3 (0.41) HRH3HRH1BACE1HDAC3HDAC1
SCHEMBL5170957 0.83 CHRNB2 (0.38) HRH3GHSR
SCHEMBL5170245 0.81 HRH3 (0.35) HRH3HDAC3HDAC1HDAC2
SCHEMBL5170766 0.81 SMO (0.34) HRH3
SCHEMBL5171657 0.80 USP30 (0.36) —
SCHEMBL5169168 0.80 PRMT5 (0.37) HRH3GHSR

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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