Sugi Predict

Sugi Predict / Compounds / SCHEMBL3726573

SCHEMBL3726573

SCHEMBL3726573

CC(C)N1CCC(N(C)C(=O)c2ccc(-n3ncc4ccccc43)cc2)CC1.CN(C(=O)c1ccc(-n2cc3ccccc3n2)cc1)C1CCN(C2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 20/20 0.50
▸ KCNH2 Q12809 4/20 0.50

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
SCHEMBL4945186 0.86 HRH3 (0.59) HRH3KCNH2
SCHEMBL4944435 0.86 HRH3 (0.59) HRH3KCNH2
SCHEMBL4937472 0.85 HRH3 (0.58) HRH3KCNH2
SCHEMBL3670911 0.85 HRH3 (0.58) HRH3KCNH2
SCHEMBL3733490 0.84 HRH3 (0.59) HRH3KCNH2
SCHEMBL3664863 0.84 HRH3 (0.59) HRH3KCNH2
SCHEMBL3669500 0.81 HRH3 (0.68) HRH3KCNH2
SCHEMBL4945837 0.81 HRH3 (0.68) HRH3KCNH2
SCHEMBL3673648 0.80 HRH3 (0.66) HRH3KCNH2
SCHEMBL3722716 0.80 HRH3 (0.66) HRH3KCNH2

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-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 — — EP claimed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 — — WO claimed