SCHEMBL5173434

SCHEMBL5173434

CC(C)CC1CN(C(=O)O)CCc2cc(Cc3cnccn3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 5/20 0.35
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ PARP4 Q9UKK3 1/20 0.34
▸ PARP3 Q9Y6F1 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ VNN1 O95497 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ACKR3 P25106 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SLC18A2 Q05940 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ POLB P06746 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
SCHEMBL5170769 0.87 SLC18A2 (0.33) KDM4CALDH1A1SLC18A2KDM4EABCB11
SCHEMBL5183241 0.85 HRH3 (0.33) KDM4CALDH1A1SLC18A2KDM4EABCB11
SCHEMBL5173427 0.84 ACKR3 (0.36) KDM4CTNKSPARP1PARP2PARP4
SCHEMBL5171675 0.84 PANK3 (0.39) —
SCHEMBL5171053 0.84 HRH3 (0.35) KDM4CPARP1PARP2
SCHEMBL5170526 0.83 KCNH2 (0.33) KDM4CPARP1ACACBALDH1A1SLC18A2
SCHEMBL5170766 0.83 SMO (0.34) KDM4CALDH1A1SLC18A2KDM4EABCB11
SCHEMBL5183100 0.83 ACACB (0.32) ACACBABL1HTR1A
SCHEMBL5170839 0.83 GPR52 (0.40) SLC18A2
SCHEMBL5169168 0.82 PRMT5 (0.37) SLC18A2

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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