SCHEMBL5208071

SCHEMBL5208071

FC(F)(F)c1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.45
LCAT P04180 6/20 0.40
TIPARP Q7Z3E1 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
PARP1 P09874 1/20 0.36

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
Hydrochloric Acid SCHEMBL5210095 0.99 HRH3 (0.44) HRH3LCATTIPARPCHRM2CHRM4
SCHEMBL5212095 0.81 HRH3 (0.48) HRH3LCATCHRM4
SCHEMBL5210771 0.81 HRH3 (0.55) HRH3
Hydrochloric Acid SCHEMBL5210894 0.81 HRH3 (0.54) HRH3
Hydrochloric Acid SCHEMBL5210871 0.81 HRH3 (0.47) HRH3LCATCHRM4
SCHEMBL5208707 0.80 HRH3 (0.46) HRH3LCAT
SCHEMBL5211979 0.80 HRH3 (0.48) HRH3TIPARP
Hydrochloric Acid SCHEMBL5215054 0.79 HRH3 (0.47) HRH3TIPARP
Hydrochloric Acid SCHEMBL5212833 0.79 HRH3 (0.45) HRH3LCAT
SCHEMBL5208552 0.77 HRH3 (0.43) HRH3LCAT

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-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed