SCHEMBL2832012

SCHEMBL2832012

COc1ccccc1OCC(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.64
KDM4E B2RXH2 3/20 0.63
POLB P06746 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.53

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
SCHEMBL791659 0.87 KMT2A (0.71) KDM4EPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL2830318 0.85 POLB (0.76) ACHEKDM4EPOLBTDP1SMN1; SMN2
SCHEMBL2829558 0.84 ACHE (0.60) ACHEKDM4EPOLBTDP1SMN1; SMN2
SCHEMBL3776056 0.83 KMT2A (0.57) ACHEKDM4EPOLBTDP1SMN1; SMN2
SCHEMBL2829296 0.82 KDM4E (0.62) ACHEKDM4EPOLBTDP1SMN1; SMN2
SCHEMBL2830956 0.82 CYP2D6 (0.64) ACHEKDM4EPOLBTDP1SMN1; SMN2
SCHEMBL2829771 0.81 ACHE (0.73) ACHEKDM4EPOLBTDP1SMN1; SMN2
SCHEMBL2832017 0.80 MEN1 (0.61) ACHEKDM4EPOLBTDP1SMN1; SMN2
SCHEMBL2830939 0.80 KMT2A (0.58) ACHEKDM4EPOLBTDP1KMT2A
SCHEMBL5456813 0.77 ALDH1A1 (0.64) KDM4ECYP2D6CYP2C19NPSR1KMT2A

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