SCHEMBL5194064

SCHEMBL5194064

CNC(=O)c1ccc(OCc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ GABRA5 P31644 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35

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
SCHEMBL5170957 0.91 CHRNB2 (0.38) HRH3GRM5GABRA5CHRNB2CHRNA7
SCHEMBL5171939 0.89 HRH3 (0.40) HRH3
SCHEMBL5169168 0.88 PRMT5 (0.37) HRH3
SCHEMBL6223629 0.88 HRH3 (0.54) HRH3OPRM1OPRD1
SCHEMBL5172025 0.87 HRH3 (0.39) HRH3
SCHEMBL5194058 0.85 HRH3 (0.41) HRH3GRM5GABRA5CHRNB2CHRNA7
SCHEMBL5171948 0.83 SLC18A2 (0.33) HRH3
SCHEMBL6225071 0.82 HRH3 (0.42) HRH3OPRM1OPRD1
SCHEMBL5171053 0.80 HRH3 (0.35) HRH3
SCHEMBL5713479 0.78 HRH3 (0.46) HRH3OPRM1OPRD1

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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