SCHEMBL5183241

SCHEMBL5183241

CC(C)CC1CN(C(=O)O)CCc2cc(Cc3cnc(C(N)=O)cn3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.33
▸ SLC18A2 Q05940 2/20 0.32
▸ XIAP P98170 1/20 0.31
▸ BIRC2 Q13490 1/20 0.31
▸ KDM4C Q9H3R0 2/20 0.31
▸ GRM2 Q14416 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ SCN2A Q99250 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
SCHEMBL5171053 0.91 HRH3 (0.35) HRH3XIAPBIRC2KDM4C
SCHEMBL5170769 0.91 SLC18A2 (0.33) SLC18A2XIAPBIRC2KDM4CKDM4E
SCHEMBL5170766 0.90 SMO (0.34) HRH3SLC18A2KDM4CKDM4EABCB11
SCHEMBL5170245 0.89 HRH3 (0.35) HRH3KDM4C
SCHEMBL5173434 0.85 KDM4C (0.35) SLC18A2KDM4CKDM4EABCB11ALDH1A1
SCHEMBL5183100 0.85 ACACB (0.32) XIAPBIRC2HTR1A
SCHEMBL5183239 0.84 GRM2 (0.32) XIAPBIRC2GRM2
SCHEMBL5171675 0.82 PANK3 (0.39) —
SCHEMBL5169168 0.82 PRMT5 (0.37) HRH3SLC18A2
SCHEMBL5170218 0.81 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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