SCHEMBL5170212

SCHEMBL5170212

CC(C)(C)C1CN(C(=O)O)CCc2cc(Cc3cnc(NC(=O)CCCBr)cn3)ccc21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 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
SCHEMBL5183097 0.88 CHEK1 (0.31) BDKRB1
SCHEMBL5170218 0.87 DEGS1 (0.33) —
SCHEMBL5170763 0.81 XIAP (0.32) BDKRB1
SCHEMBL5171051 0.81 HRH3 (0.35) BDKRB1
SCHEMBL5183239 0.81 GRM2 (0.32) BDKRB1
SCHEMBL5170762 0.80 SMO (0.33) BDKRB1
SCHEMBL5661959 0.79 ESR2 (0.40) —
SCHEMBL5170240 0.79 HRH3 (0.35) BDKRB1
SCHEMBL5173427 0.79 ACKR3 (0.36) BDKRB1
SCHEMBL5169161 0.77 PRMT5 (0.36) —

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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