SCHEMBL5208660

SCHEMBL5208660

O=C(c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.55
L3MBTL3 Q96JM7 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MBTD1 Q05BQ5 1/20 0.50
TP53BP1 Q12888 1/20 0.50
L3MBTL4 Q8NA19 1/20 0.50
HRH1 P35367 1/20 0.47
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KDM2B Q8NHM5 4/20 0.43

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
SCHEMBL5210119 0.97 HRH3 (0.55) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5209386 0.86 KMT2A (0.57) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
Hydrochloric Acid SCHEMBL5213050 0.85 KMT2A (0.56) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5209549 0.84 L3MBTL3 (0.70) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5212856 0.82 L3MBTL3 (0.68) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5208671 0.82 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5209775 0.82 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5210695 0.82 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
Hydrochloric Acid SCHEMBL5213593 0.81 HRH3 (0.52) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5208300 0.81 L3MBTL3 (0.62) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1

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