SCHEMBL4453086

SCHEMBL4453086

O=C(C1CC(Oc2ccc(F)cc2)CN1C(=O)O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.75
KCNH2 Q12809 6/20 0.73

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
SCHEMBL4320406 1.00 HRH3 (0.75) HRH3KCNH2
SCHEMBL4327958 0.98 HRH3 (0.79) HRH3KCNH2
SCHEMBL4314729 0.97 HRH3 (0.81) HRH3KCNH2
SCHEMBL4319704 0.95 HRH3 (0.84) HRH3KCNH2
SCHEMBL4319675 0.95 HRH3 (0.84) HRH3KCNH2
SCHEMBL4329945 0.95 HRH3 (0.84) HRH3KCNH2
SCHEMBL4321524 0.95 HRH3 (0.84) HRH3KCNH2
SCHEMBL4317891 0.94 HRH3 (0.79) HRH3KCNH2
SCHEMBL4319378 0.89 HRH3 (0.94) HRH3KCNH2
SCHEMBL4319375 0.89 HRH3 (0.94) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009143153-A1 SUBSTITUTED PYRROLIDINE AMIDES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-11-26 WO disclosed