SCHEMBL5172133

SCHEMBL5172133

Cc1noc(-c2cnc(Cc3ccc4c(c3)CCN(C(=O)O)CC4CC(C)C)cn2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.33
▸ ADRB3 P13945 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ OPRK1 P41145 7/20 0.32
▸ HCRTR1 O43613 8/20 0.31
▸ HCRTR2 O43614 8/20 0.31
▸ OPRM1 P35372 2/20 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
SCHEMBL5197772 0.89 S1PR1 (0.39) S1PR1S1PR3OPRK1HCRTR1HCRTR2
SCHEMBL5172129 0.87 ADRB3 (0.31) CNR2ADRB3SLC6A2SLC6A4HCRTR1
SCHEMBL5182852 0.86 S1PR1 (0.38) S1PR1S1PR3HCRTR1HCRTR2
SCHEMBL5159383 0.85 STAT3 (0.37) OPRK1OPRM1
SCHEMBL5170769 0.82 SLC18A2 (0.33) —
SCHEMBL5183241 0.81 HRH3 (0.33) —
SCHEMBL5183100 0.80 ACACB (0.32) —
SCHEMBL5171053 0.80 HRH3 (0.35) —
SCHEMBL5173434 0.79 KDM4C (0.35) —
SCHEMBL5170766 0.79 SMO (0.34) HCRTR1HCRTR2

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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