SCHEMBL3728089

SCHEMBL3728089

CN(C(=O)c1ccc(Cn2cnc3ccccc32)cc1)C1CCCN(C2CCC2)C1.CN(C(=O)c1ccc(Cn2cnc3ccccc32)cc1)C1CCCN(C2CCCC2)C1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.91
KCNH2 Q12809 2/20 0.56
PTAFR P25105 1/20 0.53

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
SCHEMBL4940209 1.00 HRH3 (0.91) HRH3KCNH2PTAFR
SCHEMBL4946499 0.99 HRH3 (0.93) HRH3KCNH2PTAFR
SCHEMBL3727192 0.95 HRH3 (1.00) HRH3KCNH2
SCHEMBL3668013 0.95 HRH3 (1.00) HRH3KCNH2
SCHEMBL4943231 0.90 HRH3 (0.90) HRH3KCNH2PTAFR
SCHEMBL3666533 0.90 HRH3 (0.90) HRH3KCNH2PTAFR
SCHEMBL3724889 0.89 HRH3 (0.87) HRH3KCNH2
SCHEMBL3722330 0.86 HRH3 (0.90) HRH3KCNH2PTAFR
SCHEMBL3731130 0.84 HRH3 (0.80) HRH3KCNH2PTAFR
SCHEMBL4944936 0.84 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