SCHEMBL2833140

SCHEMBL2833140

COc1ccc(C=CC(=O)N2CCC(N3CCCC3)CC2)c(Cl)c1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ITGAL P20701 4/20 0.49
ITGB2 P05107 3/20 0.49
ICAM1 P05362 3/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV1 Q8NER1 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL4377227 0.92 HPGD (0.47) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL13636365 0.92 HPGD (0.47) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL4382018 0.91 HCAR2 (0.48) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL14190928 0.91 HCAR2 (0.48) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL13090095 0.88 HPGD (0.51) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL2831501 0.85 HPGD (0.61) HPGDKDM4EALDH1A1KMT2ANPC1
SCHEMBL3765820 0.84 ITGB2 (0.42) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL3765817 0.84 ITGB2 (0.42) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL7619374 0.81 ITGAL (0.77) HPGDITGALITGB2ICAM1KDM4E
SCHEMBL6308792 0.81 ITGAL (0.77) HPGDITGALITGB2ICAM1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243776-A1 Substituted piperidines and their use for the treatment of diseases related to the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2010-10-27 EP claimed
EP-2243776-A1 Substituted piperidines and their use for the treatment of diseases related to the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2010-10-27 EP disclosed
US-7064135-B2 Substituted piperidines NOVO NORDISK INC. (DK) 2006-06-20 US disclosed