SCHEMBL5170953

SCHEMBL5170953

COC(=O)c1ccc(OCc2ccc3c(c2)CCN(C(=O)O)CC3C(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ GABRA5 P31644 5/20 0.37
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL5194058 0.91 HRH3 (0.41) CHRNB2CHRNA7CHRNA4GRM5GABRA5
SCHEMBL5171940 0.88 CYP4F2 (0.35) CYP4F2CYP4A11GRIN1GRIN2BPOLB
SCHEMBL5713478 0.86 HRH3 (0.45) —
SCHEMBL5170957 0.85 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4GRM5GABRA5
SCHEMBL5672109 0.82 HPGDS (0.36) GABRA5
SCHEMBL5171933 0.82 HRH3 (0.41) GRM5CYP4F2CYP4A11GRIN1GRIN2B
SCHEMBL5172012 0.80 HRH3 (0.40) CYP4F2CYP4A11GRIN1GRIN2B
SCHEMBL5184064 0.80 GRIN1 (0.33) CYP4F2CYP4A11GRIN1GRIN2B
SCHEMBL5170762 0.78 SMO (0.33) CYP4F2CYP4A11POLB
SCHEMBL5664186 0.78 GPR119 (0.49) GABRA5CYP4F2CYP4A11

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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