SCHEMBL4563345

SCHEMBL4563345

O=C(c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 1.00
KCNH2 Q12809 4/20 0.65
HRH1 P35367 2/20 0.62

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
SCHEMBL3094821 0.99 HRH3 (0.98) HRH3KCNH2HRH1
SCHEMBL3089677 0.92 HRH3 (0.86) HRH3KCNH2HRH1
SCHEMBL3090975 0.89 HRH3 (0.83) HRH3HRH1
SCHEMBL3082047 0.88 HRH3 (0.81) HRH3HRH1
SCHEMBL1707159 0.88 HRH3 (1.00) HRH3HRH1
SCHEMBL3101097 0.87 HRH3 (0.77) HRH3HRH1
SCHEMBL14372315 0.87 HRH3 (0.79) HRH3HRH1
SCHEMBL3089554 0.86 HRH3 (0.76) HRH3
SCHEMBL3339325 0.86 HRH3 (0.75) HRH3HRH1
SCHEMBL3086198 0.86 HRH3 (0.80) HRH3HRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP claimed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed