SCHEMBL4317818

SCHEMBL4317818

O=C([C@@H]1[C@@H](O)CCN1C(=O)O)N1CCCN(C2CCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.47
KCNH2 Q12809 5/20 0.39

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
SCHEMBL4450564 0.81 PREP (0.47) HRH3KCNH2
SCHEMBL4321123 0.80 HRH3 (0.42) HRH3KCNH2
SCHEMBL1507253 0.77 HRH3 (0.52) HRH3
SCHEMBL4314824 0.76 HRH3 (0.48) HRH3KCNH2
SCHEMBL4323402 0.76 HRH3 (0.48) HRH3KCNH2
SCHEMBL4329752 0.76 HRH3 (0.48) HRH3KCNH2
SCHEMBL4326925 0.75 HRH3 (0.59) HRH3KCNH2
SCHEMBL4324925 0.73 HRH3 (0.62) HRH3KCNH2
SCHEMBL4321163 0.73 HRH3 (0.45) HRH3KCNH2
SCHEMBL4315553 0.72 HRH3 (0.61) 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
WO-2009143153-A1 SUBSTITUTED PYRROLIDINE AMIDES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-11-26 WO claimed
WO-2009143153-A1 SUBSTITUTED PYRROLIDINE AMIDES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-11-26 WO disclosed