SCHEMBL5184067

SCHEMBL5184067

CCOC(=O)c1ccc(OCc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)nn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GABRA1 P14867 10/20 0.33
▸ SLC18A2 Q05940 1/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ FFAR1 O14842 2/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ S1PR1 P21453 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
SCHEMBL5172025 0.88 HRH3 (0.39) GRIN1GRIN2BGABRA1GHSRENPP2
SCHEMBL5184064 0.85 GRIN1 (0.33) GRIN1GRIN2BGABRA1FFAR1TDP1
SCHEMBL5171897 0.81 NOTUM (0.35) SLC18A2GHSRPPARDPPARATDP1
SCHEMBL5170957 0.80 CHRNB2 (0.38) SLC18A2GHSR
SCHEMBL5171948 0.80 SLC18A2 (0.33) GRIN1GRIN2BSLC18A2GHSRS1PR1
SCHEMBL5194064 0.78 HRH3 (0.40) —
SCHEMBL5171939 0.78 HRH3 (0.40) GRIN1GRIN2BGABRA1GHSRS1PR1
SCHEMBL5170946 0.76 GABRA1 (0.39) GABRA1SLC18A2TDP1
SCHEMBL5170176 0.76 SLC18A2 (0.36) SLC18A2
SCHEMBL5170924 0.75 GRIN1 (0.35) GRIN1GRIN2BSLC18A2GHSRFFAR1

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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