SCHEMBL4622129

SCHEMBL4622129

CC(C)(C)NC(=O)c1ccc(OCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.67
HRH2 P25021 6/20 0.47
HRH1 P35367 6/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
Oxalic Acid SCHEMBL4490635 0.97 HRH3 (0.64) HRH3KDM4E
SCHEMBL4491652 0.88 HRH3 (0.69) HRH3HRH2HRH1MAOB
SCHEMBL14241012 0.87 HRH3 (0.72) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4486197 0.87 HRH3 (0.72) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4496452 0.86 HRH3 (0.70) HRH3HRH2HRH1MAOB
SCHEMBL4495437 0.85 HRH3 (0.69) HRH3HRH2HRH1MAOB
SCHEMBL4495175 0.85 HRH3 (0.68) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL15494258 0.85 HRH3 (0.72) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4622753 0.83 HRH3 (0.66) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4622140 0.83 HRH3 (0.66) HRH3HRH2HRH1

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
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed