SCHEMBL2828741

SCHEMBL2828741

O=C(CCCCC1CCCCC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ NAAA Q02083 1/20 0.49
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 0.48
▸ HSD11B1 P28845 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GNAI3 P08754 1/20 0.45
▸ GNAO1 P09471 1/20 0.45
▸ GNAI1 P63096 1/20 0.45
▸ ATM Q13315 1/20 0.44

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
SCHEMBL12128801 1.00 MEN1 (0.74) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4382883 0.90 KMT2A (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4382097 0.90 KMT2A (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL22940447 0.88 ATM (0.59) MEN1KMT2AALDH1A1NAAAITGB3
SCHEMBL7371370 0.88 ATM (0.59) MEN1KMT2AALDH1A1NAAAITGB3
SCHEMBL1334264 0.81 MEN1 (0.68) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL8142577 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7080193 0.80 MEN1 (0.55) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL25447312 0.79 HSD11B1 (0.57) MEN1KMT2AALDH1A1NAAAITGB3
SCHEMBL14218032 0.77 HSD11B1 (0.81) MEN1KMT2AALDH1A1MAPTNAAA

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 4 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
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
Send feedback