SCHEMBL3723719

SCHEMBL3723719

CN(C(=O)c1ccc(Cn2cnc3ccc(F)cc32)cc1)C1CCN(C2CCCC2)CC1.CN(C(=O)c1ccc(Cn2cnc3ccc(F)cc32)cc1)C1CCN(C2CCCC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.71
BRD4 O60885 1/20 0.46
CCR3 P51677 1/20 0.46
PTAFR P25105 1/20 0.44
KCNH2 Q12809 2/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL3673219 1.00 HRH3 (0.71) HRH3BRD4CCR3PTAFRKCNH2
SCHEMBL4944562 0.93 HRH3 (0.79) HRH3BRD4KCNH2
SCHEMBL4944555 0.93 HRH3 (0.79) HRH3BRD4KCNH2
SCHEMBL4944385 0.93 HRH3 (0.71) HRH3CCR3PTAFRKCNH2
SCHEMBL3666533 0.88 HRH3 (0.90) HRH3PTAFRKCNH2
SCHEMBL4943231 0.86 HRH3 (0.90) HRH3PTAFRKCNH2
SCHEMBL3672590 0.86 HRH3 (0.79) HRH3KCNH2
SCHEMBL3672593 0.86 HRH3 (0.79) HRH3KCNH2
SCHEMBL3670992 0.84 HRH3 (0.79) HRH3BRD4KCNH2
SCHEMBL3670994 0.84 HRH3 (0.79) HRH3BRD4KCNH2

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 disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO disclosed