SCHEMBL4317827

SCHEMBL4317827

O=C([C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)O)N1CCCN(C2CCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.64
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4314917 0.91 HRH3 (0.64) HRH3KCNH2
SCHEMBL4314919 0.90 HRH3 (0.66) HRH3KCNH2
SCHEMBL4320815 0.87 HRH3 (0.55) HRH3KCNH2
SCHEMBL4450674 0.87 HRH3 (0.56) HRH3KCNH2
SCHEMBL11921652 0.82 HRH3 (0.68) HRH3KCNH2
SCHEMBL4325712 0.82 HRH3 (0.68) HRH3KCNH2
SCHEMBL11921653 0.81 HRH3 (0.67) HRH3KCNH2
SCHEMBL4317820 0.81 HRH3 (0.67) HRH3KCNH2
SCHEMBL17237594 0.81 HRH3 (0.60) HRH3KDM4EALDH1A1
SCHEMBL4328864 0.79 HRH3 (0.69) 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