SCHEMBL5183100

SCHEMBL5183100

CC(=O)Nc1cnc(Cc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)cn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ CHEK1 O14757 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1F P30939 1/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ XIAP P98170 1/20 0.30
▸ BIRC2 Q13490 1/20 0.30
▸ SCD O00767 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
SCHEMBL5170218 0.89 DEGS1 (0.33) —
SCHEMBL5170769 0.87 SLC18A2 (0.33) HTR1AXIAPBIRC2
SCHEMBL5171053 0.85 HRH3 (0.35) NAMPTXIAPBIRC2SCD
SCHEMBL5183097 0.85 CHEK1 (0.31) ACACBNAMPTCHEK1HTR1AHTR1D
SCHEMBL5183241 0.85 HRH3 (0.33) HTR1AXIAPBIRC2
SCHEMBL5170245 0.85 HRH3 (0.35) NAMPTCHEK1
SCHEMBL5170766 0.84 SMO (0.34) HTR1A
SCHEMBL5173434 0.83 KDM4C (0.35) ACACBHTR1AABL1
SCHEMBL5169168 0.82 PRMT5 (0.37) NAMPT
SCHEMBL5172133 0.80 CNR2 (0.33) —

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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