SCHEMBL5170839

SCHEMBL5170839

CC(C)CC1CN(C(=O)O)CCc2cc(Cc3ccc(C#N)nc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.40
▸ PRMT5 O14744 3/20 0.35
▸ WDR77 Q9BQA1 3/20 0.35
▸ PANK3 Q9H999 2/20 0.34
▸ S1PR1 P21453 5/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ERG P11308 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.32
▸ SLC18A2 Q05940 1/20 0.32
▸ KCNK3 O14649 1/20 0.31

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
SCHEMBL5170526 0.86 KCNH2 (0.33) SLC18A2
SCHEMBL5170856 0.86 PPARD (0.38) S1PR1PPARDPPARASLC18A2
SCHEMBL5171675 0.85 PANK3 (0.39) PRMT5WDR77PANK3PPARDPPARA
SCHEMBL5170835 0.84 GPR52 (0.41) GPR52PRMT5WDR77PANK3S1PR1
SCHEMBL5173434 0.83 KDM4C (0.35) SLC18A2
SCHEMBL5170925 0.81 POLB (0.36) SLC18A2
SCHEMBL5170769 0.81 SLC18A2 (0.33) SLC18A2
SCHEMBL2120757 0.80 PPARD (0.39) PPARDPPARASLC18A2
SCHEMBL5170176 0.80 SLC18A2 (0.36) SLC18A2
SCHEMBL5183241 0.79 HRH3 (0.33) GRM2SLC18A2

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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