SCHEMBL4621749

SCHEMBL4621749

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.69
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
MAOB P27338 1/20 0.47
GPR119 Q8TDV5 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR2A P28223 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 SCHEMBL4490857 0.97 HRH3 (0.66) HRH3HRH2HRH1KDM4E
SCHEMBL4489369 0.90 HRH3 (0.72) HRH3HRH2HRH1MAOBGPR119
SCHEMBL4493848 0.87 HRH3 (0.68) HRH3HRH2HRH1MAOBGPR119
Oxalic Acid SCHEMBL4485952 0.86 HRH3 (0.67) HRH3HRH2HRH1MAOBGPR119
SCHEMBL4622461 0.86 HRH3 (0.67) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4686646 0.85 HRH3 (0.66) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4621919 0.85 HRH3 (0.66) HRH3HRH2HRH1MAOBGPR119
SCHEMBL4620858 0.85 HRH3 (0.69) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL1978514 0.84 HRH3 (0.64) HRH3HRH2HRH1MAOBGPR119
SCHEMBL4619663 0.84 HRH3 (0.65) HRH3HRH2HRH1MAOB

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