SCHEMBL5208300

SCHEMBL5208300

O=C(c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.62
L3MBTL1 Q9Y468 8/20 0.62
MBTD1 Q05BQ5 5/20 0.62
TP53BP1 Q12888 2/20 0.62
L3MBTL4 Q8NA19 2/20 0.62
HRH3 Q9Y5N1 6/20 0.57
HRH1 P35367 1/20 0.57
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD11B1 P28845 1/20 0.48

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 SCHEMBL5213432 0.99 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5209549 0.92 L3MBTL3 (0.70) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5212856 0.91 L3MBTL3 (0.68) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14529143 0.85 L3MBTL3 (0.84) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5209593 0.85 ALDH1A1 (0.64) L3MBTL3L3MBTL1HRH3HPGDKDM4E
SCHEMBL5210985 0.85 HRH3 (0.56) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14528665 0.84 L3MBTL3 (0.78) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4134784 0.82 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1169820 0.82 L3MBTL3 (0.66) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5209386 0.82 KMT2A (0.57) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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