SCHEMBL4039849

SCHEMBL4039849

O=C(O)Oc1ccc(N2CCC(CC3CCN(C4CCC4)CC3)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.48
L3MBTL3 Q96JM7 3/20 0.39
HRH1 P35367 1/20 0.39
CHRM4 P08173 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MBTD1 Q05BQ5 1/20 0.38
TP53BP1 Q12888 1/20 0.38
L3MBTL4 Q8NA19 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4032876 0.84 HRH3 (0.42) HRH3
SCHEMBL4032479 0.82 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4035015 0.79 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
Hydrochloric Acid SCHEMBL4033620 0.78 HRH3 (0.52) HRH3L3MBTL3CHRM4L3MBTL1MBTD1
SCHEMBL16712257 0.77 MAPT (0.48) L3MBTL1
Trifluoroacetic Acid SCHEMBL4034608 0.77 HRH3 (0.48) HRH3L3MBTL3CHRM4L3MBTL1MBTD1
SCHEMBL3879396 0.77 HRH3 (0.39) HRH3HRH1
SCHEMBL4032017 0.76 HRH3 (0.53) HRH3HRH1KCNH2
SCHEMBL4033533 0.76 HRH3 (0.56) HRH3
SCHEMBL4031344 0.74 HRH3 (0.42) HRH3L3MBTL3L3MBTL1

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-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP claimed