SCHEMBL4608119

SCHEMBL4608119

OC1(c2cncc(CCN3CCCC3)c2)CCC2CN(Cc3ccccc3)CC21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
NPY1R P25929 1/20 0.38
HTT P42858 1/20 0.38
NPY2R P49146 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL4608914 0.86 SLC6A3 (0.47) SLC6A3SIGMAR1NPY1RHTTNPY2R
SCHEMBL4610443 0.83 HRH3 (0.40) SLC6A3NPY1RHTTNPY2RALDH1A1
SCHEMBL4608334 0.82 SLC6A3 (0.40) SLC6A3SIGMAR1ALDH1A1KDM4EHPGD
SCHEMBL4608156 0.81 SLC6A3 (0.46) SLC6A3SIGMAR1NPY1RHTTNPY2R
SCHEMBL15908896 0.78 NPY1R (0.51) NPY1RHTTNPY2RALDH1A1BCHE
SCHEMBL14538699 0.77 LTA4H (0.49) HTT
SCHEMBL14538755 0.77 FAAH (0.47) HTTALDH1A1KDM4EBACE1
SCHEMBL4610283 0.75 KDM4E (0.45) ALDH1A1KDM4EMBTD1L3MBTL3L3MBTL1
SCHEMBL4608505 0.75 HRH3 (0.53) SLC6A3SIGMAR1KDM4EMBTD1L3MBTL3
SCHEMBL4651854 0.74 NPY1R (0.41) NPY1RHTTNPY2RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948605-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-07-30 EP disclosed
WO-2007061741-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed