SCHEMBL13089996

SCHEMBL13089996

O=C(CC1c2ccccc2C(=O)N1c1ccccc1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBX7 O95931 2/20 0.47
CDYL2 Q8N8U2 2/20 0.47
CDYL Q9Y232 2/20 0.47
CDY1; CDY1B Q9Y6F8 1/20 0.47
ACHE P22303 1/20 0.47
L3MBTL3 Q96JM7 8/20 0.46
L3MBTL1 Q9Y468 7/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
TP53BP1 Q12888 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
CHRM1 P11229 1/20 0.42
MBTD1 Q05BQ5 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL10553572 0.91 ALDH1A1 (0.47) ACHEKDM4EALDH1A1MAPTCYP2C9
SCHEMBL10561025 0.82 RAB9A (0.53) ACHEALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL10554436 0.80 ALDH1A1 (0.51) ACHEKDM4EALDH1A1MAPTHIF1A
SCHEMBL10552491 0.80 RAB9A (0.56) KDM4EALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL10555676 0.78 TSHR (0.48) ACHEKDM4EALDH1A1MAPTCYP2C9
Oxalic Acid SCHEMBL10558687 0.77 KDM4E (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10551047 0.76 GAA (0.51) KDM4EALDH1A1MAPTCYP2C9MEN1
SCHEMBL10552800 0.75 KMT2A (0.46) L3MBTL1KDM4EALDH1A1MAPTCYP2C9
SCHEMBL10551143 0.72 ALDH1A1 (0.50) ACHEL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL10550805 0.71 KMT2A (0.54) KDM4EALDH1A1MAPTCYP2C9MEN1

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-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