SCHEMBL5170245

SCHEMBL5170245

CCNC(=O)c1cnc(Cc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)cn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ MAP3K5 Q99683 3/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ KDM4C Q9H3R0 2/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ CSF1R P07333 1/20 0.30
▸ SMO Q99835 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
SCHEMBL5171053 0.92 HRH3 (0.35) HRH3NAMPTPARP1KDM4CBRD4
SCHEMBL5183241 0.89 HRH3 (0.33) HRH3KDM4C
SCHEMBL5170766 0.88 SMO (0.34) HRH3KDM4CSMO
SCHEMBL5170240 0.86 HRH3 (0.35) HRH3NAMPTMAP3K5PARP1HDAC3
SCHEMBL5170769 0.85 SLC18A2 (0.33) KDM4C
SCHEMBL5183100 0.85 ACACB (0.32) NAMPTCHEK1
SCHEMBL5169168 0.82 PRMT5 (0.37) HRH3NAMPT
SCHEMBL5173434 0.82 KDM4C (0.35) PARP1KDM4C
SCHEMBL5171939 0.81 HRH3 (0.40) HRH3HDAC3HDAC1HDAC2
SCHEMBL5170218 0.80 DEGS1 (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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