SCHEMBL4621772

SCHEMBL4621772

O=C(c1ccc(OCCCN2CC3CCCC3C2)cc1)N(C1CC1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.70
MAOB P27338 1/20 0.49
HTR2A P28223 2/20 0.48
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
KDM4E B2RXH2 2/20 0.44

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 SCHEMBL4496673 0.97 HRH3 (0.66) HRH3MAOBHTR2AKDM4E
SCHEMBL4507442 0.96 HRH3 (0.69) HRH3MAOBHTR2AHRH2HRH1
SCHEMBL4620858 0.87 HRH3 (0.69) HRH3MAOBHTR2AHRH2HRH1
SCHEMBL4489369 0.87 HRH3 (0.72) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4622461 0.86 HRH3 (0.67) HRH3MAOBHTR2AHRH2HRH1
SCHEMBL4686646 0.85 HRH3 (0.66) HRH3MAOBHTR2AHRH2HRH1
SCHEMBL4493848 0.84 HRH3 (0.68) HRH3MAOBHRH2HRH1KDM4E
Oxalic Acid SCHEMBL4506377 0.84 HRH3 (0.65) HRH3HRH2HRH1KDM4E
Oxalic Acid SCHEMBL4493353 0.84 HRH3 (0.61) HRH3HTR2AKDM4E
SCHEMBL4621749 0.84 HRH3 (0.69) HRH3MAOBHTR2AHRH2HRH1

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