SCHEMBL5169161

SCHEMBL5169161

CNC(=O)c1ccc(Cc2ccc3c(c2)CCN(C(=O)O)CC3C(C)(C)C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.35
▸ 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
▸ GPR119 Q8TDV5 1/20 0.33
▸ BAZ2B Q9UIF8 1/20 0.32
▸ CXCR3 P49682 4/20 0.32
▸ RORC P51449 1/20 0.32
▸ CCNC P24863 3/20 0.32
▸ CDK8 P49336 3/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ PASK Q96RG2 1/20 0.32
▸ CDK19 Q9BWU1 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32

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
SCHEMBL5171051 0.88 HRH3 (0.35) HRH3
SCHEMBL5194058 0.87 HRH3 (0.41) HRH3
SCHEMBL5169168 0.85 PRMT5 (0.37) PRMT5WDR77HRH3PRKAB2PRKAG1
SCHEMBL5171673 0.84 PANK3 (0.37) GPR119RORC
SCHEMBL5170763 0.83 XIAP (0.32) —
SCHEMBL5183239 0.82 GRM2 (0.32) —
SCHEMBL5170240 0.82 HRH3 (0.35) HRH3
SCHEMBL5173427 0.81 ACKR3 (0.36) HTR2A
SCHEMBL5170762 0.81 SMO (0.33) HSD11B1
SCHEMBL5183097 0.81 CHEK1 (0.31) GRIN2B

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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