SCHEMBL5184064

SCHEMBL5184064

CCOC(=O)c1ccc(OCc2ccc3c(c2)CCN(C(=O)O)CC3C(C)(C)C)nn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ GABRA1 P14867 5/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ENPP2 Q13822 3/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ DCTPP1 Q9H773 1/20 0.31
▸ CHRM3 P20309 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
SCHEMBL5172012 0.87 HRH3 (0.40) GRIN1GRIN2BCYP4F2CYP4A11GPR119
SCHEMBL5184067 0.85 GRIN1 (0.34) GRIN1GRIN2BGABRA1TDP1ENPP2
SCHEMBL5170953 0.80 CHRNB2 (0.39) GRIN1GRIN2BCYP4F2CYP4A11
SCHEMBL5171940 0.80 CYP4F2 (0.35) GRIN1GRIN2BCYP4F2CYP4A11ALDH1A1
SCHEMBL5663494 0.78 GPR119 (0.47) CYP4F2CYP4A11GPR119HPGDSMN1; SMN2
SCHEMBL5171933 0.77 HRH3 (0.41) GRIN1GRIN2BCYP4F2CYP4A11GABRA1
SCHEMBL5194058 0.77 HRH3 (0.41) —
SCHEMBL5170173 0.75 ALDH1A1 (0.34) GRIN1GRIN2BCYP4F2CYP4A11ALDH1A1
SCHEMBL5170912 0.74 GRIN1 (0.35) GRIN1GRIN2BCYP4F2CYP4A11ALDH1A1
SCHEMBL5170182 0.74 HCRTR1 (0.32) GRIN1GRIN2BLMNA

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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